IngredientID 10038

Arabinose,d

C5H10O5

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Herb: 12Ingredient: 1Target: 9Links: 22
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
10038
Core Entity Id
14324
Source Entity Count
1
Preferred Name
Arabinose,d
Name En
Pubchem Id
5460291
Smiles Canonical
C(C(C(C(C=O)O)O)O)O
Molecular Formula
C5H10O5
Molecular Weight
150.1300
Inchikey
PYMYPHUHKUWMLA-VAYJURFESA-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
147-81-9
Ob Score
1.8710
Mol Logp
-2.7397
Num H Donors
4
Num H Acceptors
5
Num Rotatable Bonds
4
Drug Likeness
0.3260
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Aldehydo-L-Arabinose
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Arabinose,D
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Aldehydo-L-Arabinose
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Aldehydo-l-arabinose
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aldehydo-l-arabinose
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Arabinose,D
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Arabinose,d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arabinose,d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
aldehydo-L-arabinose
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(-)-Arabinose
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Arabinose
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
Role
alias
Source
HERB_v2
Preferred
No
Name
10323-20-3
Role
alias
Source
HERB_v2
Preferred
No
Name
10323-20-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
147-81-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
147-81-9
Role
alias
Source
HERB_v2
Preferred
No
Name
5328-37-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
5328-37-0
Role
alias
Source
HERB_v2
Preferred
No
Name
Arabinose, D-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arabinose, D-
Role
alias
Source
HERB_v2
Preferred
No
Name
Arabinose, L-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arabinose, L-
Role
alias
Source
HERB_v2
Preferred
No
Name
D-(-)-Arabinose
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-(-)-Arabinose
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Arabinose
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Arabinose
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-(+)-Arabinose
Role
alias
Source
HERB_v2
Preferred
No
Name
L-(+)-Arabinose
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00135867
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00135867
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pectinose
Role
alias
Source
HERB_v2
Preferred
No
Name
Pectinose
Role
alias
Source
itcmdb_public
Preferred
No
Name
aldehydo-D-arabinose
Role
alias
Source
HERB_v2
Preferred
No
Name
aldehydo-D-arabinose
Role
alias
Source
itcmdb_public
Preferred
No
Name
aldehydo-L-arabino-pentose
Role
alias
Source
HERB_v2
Preferred
No
Name
aldehydo-L-arabino-pentose
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-(-)-Arabinose
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-(-)-Arabinose
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Aldehydo-L-Arabinose(-)-Arabinose(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal10323-20-3147-81-95328-37-0Arabinose, D-Arabinose, L-D-(-)-ArabinoseDL-ArabinoseL-(+)-ArabinoseMFCD00135867Pectinosealdehydo-D-arabinosealdehydo-L-arabino-pentosebeta-D-(-)-Arabinose

Cross References

Trusted external identifiers retained for this final record.

Cas
147-81-9
Herb
HBIN015103HBIN016564
Npass
NPC270088NPC41862
Tcmid
37348
Tcmsp
MOL000382MOL007677
Sym Map
SMIT02996SMIT09063
Pub Chem
546029166308
Etcm Ingredient
aldehydo-L-arabinose
Itcmdb Generated
ITX-INGREDIENT-35B18EB1A4B7

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/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1
Mol Wt
150.13
Cas Id
147-81-9
Mol Log P
-2.7397
Version
v1,v2
In Ch Ikey
PYMYPHUHKUWMLA-VAYJURFESA-NPYMYPHUHKUWMLA-WDCZJNDASA-N
Ob Score
1.8711.8714791831.88531.88526274
Suppress
0
Num Hdonors
4
Drug Likeness
0.326
Num Hacceptors
5
Isomeric Smiles
C([C@@H]([C@@H]([C@H](C=O)O)O)O)OC([C@H]([C@H]([C@@H](C=O)O)O)O)O
Molecule Weight
150.15
Canonical Smiles
C(C(C(C(C=O)O)O)O)O
Herb Alias Names
5328-37-0L-(+)-ArabinoseDL-Arabinose(2R,3S,4S)-2,3,4,5-tetrahydroxypentanalPectinoseArabinose, L-147-81-9MFCD00135867aldehydo-L-arabino-pentose
Molecular Weight
150.050
Molecular Formula
C5H10O5
Molecular Formula
C5H10O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness(Qed)
0.348