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
Download Molfile XML SDF
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-MTYISEJWSA-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
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 Types Sources
11029576 PubMed citation Europe PMC
13706623 PubMed citation Europe PMC
15333710 PubMed citation Europe PMC
22502907 PubMed citation Europe PMC
8610051 PubMed citation Europe PMC
Last Modified
21 July 2015