CHEBI:35306 - 9'-cis-neoxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
Formula C40H56O4
Net Charge 0
Average Mass 600.87024
Monoisotopic Mass 600.418
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
101196 Beilstein Registry Number Beilstein
14660-91-4 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
16277423 PubMed citation Europe PMC
17186379 PubMed citation Europe PMC
17350636 PubMed citation Europe PMC
19344105 PubMed citation Europe PMC
Last Modified
14 July 2015