IngredientID 36930

Xys

C5H10O5

Relationship Network

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Herb: 12Ingredient: 1Target: 12Links: 24

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 36930
Core Entity Id: 44246
Source Entity Count: 1
Preferred Name: Xys
Name En
Pubchem Id: 6027
Smiles Canonical: C(C(C(C(C=O)O)O)O)O
Molecular Formula: C5H10O5
Molecular Weight: 150.1300
Inchikey: PYMYPHUHKUWMLA-VPENINKCSA-N
Inchi: InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
Isomeric Smiles: C([C@H]([C@@H]([C@H](C=O)O)O)O)O
Cas Id: 58-86-6
Ob Score: 51.0760
Mol Logp: -2.5823
Num H Donors: 4
Num H Acceptors: 5
Num Rotatable Bonds: 0
Drug Likeness: 0.3040
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

XLS

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Xls

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Xls

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Xls

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Xys

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Xys

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Xys

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(+)-Xylose

Role

alias

Source

HERB_v2

Preferred

Name

(+)-Xylose

Role

alias

Source

itcmdb_public

Preferred

Name

(+)-Xylose

Role

alias

Source

TCMBank

Preferred

Name

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal

Role

alias

Source

HERB_v2

Preferred

Name

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal

Role

alias

Source

itcmdb_public

Preferred

Name

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal

Role

alias

Source

TCMBank

Preferred

Name

(2R,3S,4R)-2,3,4,5-tetrahydroxyvaleraldehyde

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol

Role

alias

Source

HERB_v2

Preferred

Name

(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol

Role

alias

Source

TCMBank

Preferred

Name

(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol

Role

alias

Source

itcmdb_public

Preferred

Name

(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol

Role

alias

Source

TCMBank

Preferred

Name

(D)-XYLOSE

Role

alias

Source

itcmdb_public

Preferred

Name

(D)-XYLOSE

Role

alias

Source

HERB_v2

Preferred

Name

130550-15-1

Role

alias

Source

itcmdb_public

Preferred

Name

130550-15-1

Role

alias

Source

HERB_v2

Preferred

Name

133-56-2

Role

alias

Source

TCMBank

Preferred

Name

141492-19-5

Role

alias

Source

TCMBank

Preferred

Name

2,3,4,5-Tetrahydroxypentanal

Role

alias

Source

TCMBank

Preferred

Name

25990-60-7

Role

alias

Source

TCMBank

Preferred

Name

25990-60-7

Role

alias

Source

itcmdb_public

Preferred

Name

25990-60-7

Role

alias

Source

HERB_v2

Preferred

Name

4-01-00-04223 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

41247-05-6

Role

alias

Source

HERB_v2

Preferred

Name

41247-05-6

Role

alias

Source

itcmdb_public

Preferred

Name

58-86-6

Role

alias

Source

HERB_v2

Preferred

Name

58-86-6

Role

alias

Source

itcmdb_public

Preferred

Name

6763-34-4

Role

alias

Source

HERB_v2

Preferred

Name

6763-34-4

Role

alias

Source

TCMBank

Preferred

Name

6763-34-4

Role

alias

Source

itcmdb_public

Preferred

Name

AI3-19010

Role

alias

Source

TCMBank

Preferred

Name

Alpha-d-xylopyranose

Role

alias

Source

itcmdb_public

Preferred

Name

Alpha-d-xylopyranose

Role

alias

Source

HERB_v2

Preferred

Name

BRN 1562108

Role

alias

Source

TCMBank

Preferred

Name

C01394

Role

alias

Source

TCMBank

Preferred

Name

C02205

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 1899

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:15936

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:28518

Role

alias

Source

TCMBank

Preferred

Name

D-(+)-Xylose

Role

alias

Source

TCMBank

Preferred

Name

D-XYLOSE (LINEAR FORM)

Role

alias

Source

TCMBank

Preferred

Name

D-Xyl

Role

alias

Source

TCMBank

Preferred

Name

D-Xylose (9CI)

Role

alias

Source

TCMBank

Preferred

Name

D-xylo-pentose

Role

alias

Source

TCMBank

Preferred

Name

D-xylo-pentose

Role

alias

Source

HERB_v2

Preferred

Name

D-xylo-pentose

Role

alias

Source

itcmdb_public

Preferred

Name

DL-Xylose

Role

alias

Source

HERB_v2

Preferred

Name

DL-Xylose

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 200-400-7

Role

alias

Source

TCMBank

Preferred

Name

EINECS 247-395-8

Role

alias

Source

TCMBank

Preferred

Name

FEMA No. 3606

Role

alias

Source

TCMBank

Preferred

Name

HSDB 3273

Role

alias

Source

TCMBank

Preferred

Name

Holzzucker

Role

alias

Source

itcmdb_public

Preferred

Name

Holzzucker

Role

alias

Source

HERB_v2

Preferred

Name

Losan

Role

alias

Source

HERB_v2

Preferred

Name

Losan

Role

alias

Source

itcmdb_public

Preferred

Name

NSC 122762

Role

alias

Source

TCMBank

Preferred

Name

Wood sugar

Role

alias

Source

HERB_v2

Preferred

Name

Wood sugar

Role

alias

Source

itcmdb_public

Preferred

Name

XYLOPYRANOSE

Role

alias

Source

TCMBank

Preferred

Name

XYS

Role

alias

Source

TCMBank

Preferred

Name

Xylo-Pfan

Role

alias

Source

TCMBank

Preferred

Name

Xylomed

Role

alias

Source

TCMBank

Preferred

Name

Xylose (VAN)

Role

alias

Source

TCMBank

Preferred

Name

Xylose (VAN)

Role

alias

Source

itcmdb_public

Preferred

Name

Xylose (VAN)

Role

alias

Source

HERB_v2

Preferred

Name

Xylose [USAN]

Role

alias

Source

TCMBank

Preferred

Name

Xylose, D-

Role

alias

Source

TCMBank

Preferred

Name

Xylose, D- (8CI)

Role

alias

Source

TCMBank

Preferred

Name

Xylose, pure

Role

alias

Source

TCMBank

Preferred

Name

ZINC01529214

Role

alias

Source

TCMBank

Preferred

Name

a-D-Xylopyranose

Role

alias

Source

HERB_v2

Preferred

Name

a-D-Xylopyranose

Role

alias

Source

itcmdb_public

Preferred

Name

aldehydo-D-xylose

Role

alias

Source

itcmdb_public

Preferred

Name

aldehydo-D-xylose

Role

alias

Source

HERB_v2

Preferred

Name

alpha-D-Xylose

Role

alias

Source

HERB_v2

Preferred

Name

alpha-D-Xylose

Role

alias

Source

itcmdb_public

Preferred

Name

alpha-D-xylopyranose

Role

alias

Source

TCMBank

Preferred

Name

alpha-Xylopyranose (9CI)

Role

alias

Source

HERB_v2

Preferred

Name

alpha-Xylopyranose (9CI)

Role

alias

Source

itcmdb_public

Preferred

Name

tetrahydropyran-2,3,4,5-tetraol

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

XLS(+)-Xylose(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal(2R,3S,4R)-2,3,4,5-tetrahydroxyvaleraldehyde(2S,3R,4S,5R)-oxane-2,3,4,5-tetrol(2S,3R,4S,5R)-tetrahydropyran-2,3,4,5-tetrol(D)-XYLOSE130550-15-1133-56-2141492-19-52,3,4,5-Tetrahydroxypentanal25990-60-74-01-00-04223 (Beilstein Handbook Reference)41247-05-658-86-66763-34-4AI3-19010Alpha-d-xylopyranoseBRN 1562108C01394C02205CCRIS 1899CHEBI:15936CHEBI:28518D-(+)-XyloseD-XYLOSE (LINEAR FORM)D-XylD-Xylose (9CI)D-xylo-pentoseDL-XyloseEINECS 200-400-7EINECS 247-395-8FEMA No. 3606HSDB 3273HolzzuckerLosanNSC 122762Wood sugarXYLOPYRANOSEXylo-PfanXylomedXylose (VAN)Xylose [USAN]Xylose, D-Xylose, D- (8CI)Xylose, pureZINC01529214a-D-Xylopyranosealdehydo-D-xylosealpha-D-Xylosealpha-Xylopyranose (9CI)tetrahydropyran-2,3,4,5-tetraol

Cross References

Trusted external identifiers retained for this final record.

Cas

58-86-66763-34-4

Herb

HBIN048512HBIN048536

Npass

NPC200137NPC224344

Tcmsp

MOL000420MOL000731

Sym Map

SMIT03028SMIT03269

Pub Chem

6027644160

Tcmbank

TCMBANKIN057938

Drug Bank

DB03389

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1

Mol Wt

150.13

Cas Id

58-86-6

Smiles

C(C(C(C(C=O)O)O)O)O

Mol Log P

-2.5823-2.7397

Version

v1,v2

In Ch Ikey

PYMYPHUHKUWMLA-VPENINKCSA-NSRBFZHDQGSBBOR-LECHCGJUSA-N

Ob Score

51.07651.0763671451.076367; 58.74217258.74258.74217192

Suppress

Num Hdonors

Drug Likeness

0.3040.326

Num Hacceptors

Isomeric Smiles

C([C@H]([C@@H]([C@H](C=O)O)O)O)OC1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O

Molecule Weight

150.15

Canonical Smiles

C(C(C(C(C=O)O)O)O)OC1C(C(C(C(O1)O)O)O)O

Herb Alias Names

DL-Xylose58-86-6(2R,3S,4R)-2,3,4,5-tetrahydroxypentanalaldehydo-D-xylose25990-60-7(D)-XYLOSE(+)-XyloseD-xylo-pentoseXylose (VAN)41247-05-6

Molecular Weight

150.13

Molecular Formula

C5H10O5

Molecular Formula

C5H10O5

Num Rotatable Bonds