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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3beta,7alpha-Dihydroxy-5-cholestenoate
ChEBI ID CHEBI:81015
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H44O4
Net Charge 0
Average Mass 432.63590
Monoisotopic Mass 432.32396
InChI InChI=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
InChIKey GYJSAWZGYQXRBS-GRJZKGIBSA-N
SMILES C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 3beta,7alpha-Dihydroxy-5-cholestenoate (CHEBI:81015) is a cholanoid (CHEBI:36078)
Synonym Source
3beta,7alpha-Dihydroxy-5-cholesten-26-oic acid KEGG COMPOUND
Manual Xrefs Databases
C17335 KEGG COMPOUND
HMDB0012454 HMDB
View more database links
Registry Number Type Source
115538-84-6 CAS Registry Number KEGG COMPOUND