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CHEBI:32446 - all-trans-neoxanthin

ChEBI IDCHEBI:32446
ChEBI Nameall-trans-neoxanthin
Stars
ASCII Nameall-trans-neoxanthin
DefinitionA neoxanthin in which all of the double bonds have trans geometry.
Secondary ChEBI IDsCHEBI:7517, CHEBI:22344, CHEBI:44249
Last Modified16 January 2020
SubmitterMarcus Ennis
DownloadsMolfile

FormulaC40H56O4
Net Charge0
Average Mass600.884
Monoisotopic Mass600.41786
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
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/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22-,33-,34-,38+,39+,40-/m0/s1
InChIKeyPGYAYSRVSAJXTE-MTYISEJWSA-N

Roles Classification

ChEBI Ontology
IUPAC Names 
(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
(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
Synonyms  Source
NeoxanthinKEGG COMPOUND
all-trans-NeoxanthinKEGG COMPOUND
UniProt Name  Source
all-trans-neoxanthinUniProt
Manual XrefsDatabases
C08606KEGG COMPOUND
CPD1F-135MetaCyc
HMDB0003020HMDB
C13431KEGG COMPOUND
C00003780KNApSAcK
Registry NumbersSources
Beilstein:101197Beilstein
Reaxys:101197Reaxys
CAS:14660-91-4KEGG COMPOUND
CAS:14660-91-4ChemIDplus
Citations