CHEBI:198336 - Hopene

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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 Hopene
ChEBI ID CHEBI:198336
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H54O
Net Charge 0
Average Mass 454.783
Monoisotopic Mass 454.41747
InChI InChI=1S/C32H54O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h15,20,22-27,33H,8-14,16-19,21H2,1-7H3/t22?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1
InChIKey VXEJZIAQQHPIHP-BPLMESIISA-N
SMILES OCCCC([C@@H]1[C@H]2[C@]([C@@H]3[C@@]([C@@]4(C=C[C@H]5C(CCC[C@@]5([C@H]4CC3)C)(C)C)C)(C)CC2)(C)CC1)C
Metabolite of Species Details
Burkholderia cepacia (NCBI:txid292) See: DOI
ChEBI Ontology
Outgoing Hopene (CHEBI:198336) is a hopanoid (CHEBI:51963)
IUPAC Name
4-[(3R,3aS,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]pentan-1-ol
Manual Xref Database
78436347 ChemSpider
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