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CHEBI:81015 - 3beta,7alpha-Dihydroxy-5-cholestenoate

ChEBI IDCHEBI:81015
ChEBI Name3beta,7alpha-Dihydroxy-5-cholestenoate
Stars
DownloadsMolfile
FormulaC27H44O4
Net Charge0
Average Mass432.645
Monoisotopic Mass432.32396
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)C(=O)O)[C@]1([H])[C@H](O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKeyGYJSAWZGYQXRBS-GRJZKGIBSA-N
ChEBI Ontology
Outgoing Relation(s)
3beta,7alpha-Dihydroxy-5-cholestenoate (CHEBI:81015) is a cholanoid (CHEBI:36078)
Synonym  Source
3beta,7alpha-Dihydroxy-5-cholesten-26-oic acidKEGG COMPOUND
Manual XrefsDatabases
C17335KEGG COMPOUND
HMDB0012454HMDB
Registry NumbersSources
CAS:115538-84-6KEGG COMPOUND