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CHEBI:217874 - Ab-bis-homopanol

ChEBI IDCHEBI:217874
ChEBI NameAb-bis-homopanol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62O4
Net Charge0
Average Mass546.877
Monoisotopic Mass546.46481
SMILESC[C@H](CC[C@@H](O)[C@@H](O)[C@H](O)CO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22-,23-,24+,25-,26-,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1
InChIKeyJMKBTQYGOKJMBJ-YONLIQCJSA-N
Species of MetaboliteComponentSourceComments
Frankiaspecies (ncbitaxon:1855) - PubMed (11488925)
ChEBI Ontology
Outgoing Relation(s)
Ab-bis-homopanol (CHEBI:217874) is a hopanoid (CHEBI:51963)
IUPAC Name 
(2R,3R,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]octane-1,2,3,4-tetrol
Manual XrefsDatabases
78438671ChemSpider