Structure via PubChem · Public domain (PubChem)
calcitroic acid
Sign in to saveAlso known as 1α-hydroxy-23-carboxy-24,25,26,27-tetranorvitamin D3
chemical compound
In the Vinony graph
Vinony's link graph records 96 inbound references to calcitroic acid, and connects out to International Standard Book Number, enzyme and vitamin.
It is catalogued under topics including Chembox image size set, Human metabolites and Indenes.
Vinony links it to 10 Wikipedia language editions.
Chemical data
- Formula
- C23H34O4
- Molecular weight
- 374.5 g/mol
- IUPAC name
- (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid
- SMILES
- C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
- InChIKey
- MBLYZRMZFUWLOZ-ZTIKAOTBSA-N
- XLogP
- 3.4
- Polar surface area
- 77.8 Ų
- H-bond donors
- 3
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 374.24571
Show 5 more facts
- chemical formula
- C₂₃H₃₄O₄
- isomeric SMILES
- C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C
- canonical SMILES
- CC(CC(=O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
- found in taxon
- Homo sapiens
- subject has role
- primary metabolite
via Wikidata · CC0
Connections
International Standard Book Number
Entity
enzyme
Entity
vitamin
Entity
digital object identifier
Entity
vitamin C
Entity
chemical formula
Entity
International Standard Serial Number
Entity
bile
Entity
vitamin D
Entity
vitamin A
Entity
riboflavin
Entity
thiamine(1+) ion
Entity
vitamin K
Entity
folic acid
Entity
molar mass
Entity
vitamin E
Entity
vitamin B12
Entity
PubMed
Entity
biotin
Entity
bibcode
Entity