CHEBI:35306 - 9'-cis-neoxanthin

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ChEBI Name 9'-cis-neoxanthin ChEBI ID CHEBI:35306 ChEBI ASCII Name 9'-cis-neoxanthin Definition A neoxanthin in which all of the double bonds have trans geometry except for that at the 9' position, which is cis. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:20813, CHEBI:31146 Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C40H56O4 Net Charge 0 Average Mass 600.87024 Monoisotopic Mass 600.41786 InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1 InChIKey PGYAYSRVSAJXTE-OQASCVKESA-N SMILES [H]C(=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ChEBI Ontology Outgoing 9'-cis-neoxanthin (CHEBI:35306) is a 9-cis-epoxycarotenoid (CHEBI:51973) 9'-cis-neoxanthin (CHEBI:35306) is a neoxanthin (CHEBI:25501) IUPAC Name (3S,3'S,5R,5'R,6R,6'S,8R,9'cis)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene-3,3',5-triol Synonyms Sources (3S,5R,6R,3'S,5'R,6'S)-9'-cis-6,7-didehydro-5,6,5',6'-tetrahydro-5',6'-epoxy-β,β-carotene-3,5,3'-triol IUPAC 9'-cis-Neoxanthin KEGG COMPOUND 9'-cis-neoxanthin UniProt Manual Xrefs Databases C13431 KEGG COMPOUND CPD-7424 MetaCyc NEX PDBeChem View more database links Registry Numbers Types Sources 101196 Reaxys Registry Number Reaxys 14660-91-4 CAS Registry Number KEGG COMPOUND Citations Last Modified 14 July 2015