EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:25501 - neoxanthin

ChEBI IDCHEBI:25501
ChEBI Nameneoxanthin
Stars
DefinitionAn epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions.
Last Modified15 January 2019
DownloadsMolfile
FormulaC40H56O4
Net Charge0
Average Mass600.884
Monoisotopic Mass600.41786
SMILES[H]C(=CC(C)=CC([H])=CC([H])=C(C)C([H])=CC([H])=C(C)C([H])=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
InChIInChI=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/t22-,33-,34-,38+,39+,40-/m0/s1
InChIKeyPGYAYSRVSAJXTE-QLIYCPSBSA-N
ChEBI Ontology
Outgoing Relation(s)
neoxanthin (CHEBI:25501) is a allenes (CHEBI:37602)
neoxanthin (CHEBI:25501) is a epoxycarotenol (CHEBI:35307)
Incoming Relation(s)
all-trans-neoxanthin (CHEBI:32446) is a neoxanthin (CHEBI:25501)
9'-cis-neoxanthin (CHEBI:35306) is a neoxanthin (CHEBI:25501)
Synonym  Source
all-trans-NeoxanthinKEGG COMPOUND
Manual XrefsDatabases
C08606KEGG COMPOUND
C00003780KNApSAcK
Registry NumbersSources
CAS:30743-41-0KEGG COMPOUND