CHEBI:25501 - neoxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name neoxanthin
ChEBI ID CHEBI:25501
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000008551531
Download Molfile XML SDF
Formula C40H56O4
Net Charge 0
Average Mass 600.87020
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/t22-,33-,34-,38+,39+,40-/m0/s1
InChIKey PGYAYSRVSAJXTE-QLIYCPSBSA-N
SMILES [H]C(=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=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
ChEBI Ontology
Outgoing neoxanthin (CHEBI:25501) is a allenes (CHEBI:37602)
neoxanthin (CHEBI:25501) is a epoxycarotenol (CHEBI:35307)
Incoming 9'-cis-neoxanthin (CHEBI:35306) is a neoxanthin (CHEBI:25501)
all-trans-neoxanthin (CHEBI:32446) is a neoxanthin (CHEBI:25501)
Synonym Source
all-trans-Neoxanthin KEGG COMPOUND
Manual Xrefs Databases
C00003780 KNApSAcK
C08606 KEGG COMPOUND
View more database links
Registry Number Type Source
30743-41-0 CAS Registry Number KEGG COMPOUND
Last Modified
15 January 2019