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CHEBI:43929 - (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol

Default Structure
ChEBI IDCHEBI:43929
ChEBI Name(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC40H72O2
Net Charge0
Average Mass585.014
Monoisotopic Mass584.55323
SMILES[H]O[C@@]1([H])C([H])([H])C(C([H])([H])[H])=C(/C([H])=C(\[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])C(C([H])([H])[H])=C([H])[C@@]([H])(O[H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C40H72O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h21,23,26,29-32,35-36,38,41-42H,11-20,22,24-25,27-28H2,1-10H3/b23-21+/t29-,30+,31-,32+,35-,36+,38-/m0/s1
InChIKeyOXVWOOPFXSSEKV-WZDIAGLLSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diol (CHEBI:43929) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-didehydro-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diolPDBeChem
(3S,3'S,6R,9R,9'R,13S,13'R)-4,5-didehydro-5,6,7,8,9,9',10,10',11,11',12,12',13,13',14,14',15,15'-octadecahydro-beta,beta-carotene-3,3'-diolPDBeChem
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