CHEBI:173020 - stigmasta-7,25-dien-3beta-ol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name stigmasta-7,25-dien-3beta-ol
ChEBI ID CHEBI:173020
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H48O
Net Charge 0
Average Mass 412.702
Monoisotopic Mass 412.37052
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey CMQUSRGUOMCHOZ-UZSYLJJSSA-N
SMILES O[C@@H]1C[C@]2([C@@]([C@@]3(C([C@]4([C@@]([C@](CC4)([C@@H](CC[C@@H](CC)C(C)=C)C)[H])(CC3)C)[H])=CC2)[H])(CC1)C)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing stigmasta-7,25-dien-3beta-ol (CHEBI:173020) has parent hydride stigmastane (CHEBI:26773)
stigmasta-7,25-dien-3beta-ol (CHEBI:173020) is a steroid (CHEBI:35341)
IUPAC Name
(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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4882003 ChemSpider
LMST01040137 LIPID MAPS
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