CHEBI:32446 - all-trans-neoxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name all-trans-neoxanthin
ChEBI ID CHEBI:32446
ChEBI ASCII Name all-trans-neoxanthin
Definition A neoxanthin in which all of the double bonds have trans geometry.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44249, CHEBI:22344, CHEBI:7517
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formulae C40H56O4
C40H56O4
Net Charge 0
Average Mass 600.884
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-MTYISEJWSA-N
SMILES [C@](=C(\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\[C@@]12[C@@](C[C@H](CC1(C)C)O)(O2)C)/C)/C)\C)\C)[H])=C3C(C[C@H](O)C[C@@]3(C)O)(C)C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing all-trans-neoxanthin (CHEBI:32446) has role biological pigment (CHEBI:26130)
all-trans-neoxanthin (CHEBI:32446) has role plant metabolite (CHEBI:76924)
all-trans-neoxanthin (CHEBI:32446) is a neoxanthin (CHEBI:25501)
IUPAC Names
(3S,3'S,5R,5'R,6R,6'S,8R)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-β,β-carotene-3,3',5-triol
(3S,5R,6R,3'S,5'R,6'S)-6,7-didehydro-5',6'-epoxy-5,6,5',6'-tetrahydro-β,β-carotene-3,5,3'-triol
Synonyms Sources
all-trans-Neoxanthin KEGG COMPOUND
all-trans-neoxanthin UniProt
Neoxanthin KEGG COMPOUND
Manual Xrefs Databases
C00003780 KNApSAcK
C08606 KEGG COMPOUND
C13431 KEGG COMPOUND
CPD1F-135 MetaCyc
HMDB0003020 HMDB
MOL000106 COMe
View more database links
Registry Numbers Types Sources
101197 Beilstein Registry Number Beilstein
101197 Reaxys Registry Number Reaxys
14660-91-4 CAS Registry Number KEGG COMPOUND
14660-91-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
16 January 2020