loading...| Preferred Name |
neoxanthin |
| Synonyms |
all-trans-Neoxanthin |
| Definitions |
An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_25501 |
| charge |
0 |
| database_cross_reference |
KNApSAcK:C00003780 CAS:30743-41-0 KEGG:C08606 |
| definition |
An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions. |
| formula |
C40H56O4 |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
all-trans-Neoxanthin |
| id |
CHEBI:25501 |
| in_subset | |
| 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 |
| label |
neoxanthin |
| mass |
600.87020 |
| monoisotopicmass |
600.41786 |
| notation |
CHEBI:25501 |
| prefLabel |
neoxanthin |
| 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 |
| treeView | |
| subClassOf |