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all-trans-adonixanthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM3897

	#reac
in my sandbox	0
in MNXref (generic)	20
in models (compartimentalized)	2

formula

C₄₀H₅₄O₃

charge

mass

582.4073

reference

chebi:80217

InChIKey

YECXHLPYMXGEBI-ZNQVSPAOSA-N

InChI

InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:80217 chebi:80217	all-trans-adonixanthin (3S,3'R)-3,3'-dihydroxy-beta,beta-caroten-4-one (3S,3'R)-4-ketozeaxanthin (3S,3'R)-adonixanthin (3S,3'R)-dihydroxy-4-keto-beta,beta-carotene 4-Ketozeaxanthin adonixanthin all-trans-beta-doradexanthin doradexanthin
lipidmaps:LMPR01070016 lipidmapsM:LMPR01070016	Adonixanthin/ 4-Ketozeaxanthin
kegg.compound:C15968 keggC:C15968	Adonixanthin 3,3'-Dihydroxy-beta,beta-carotene-4-one 4-Ketozeaxanthin
seed.compound:cpd14692 seedM:cpd14692	Adonixanthin 3,3'-dihydroxy-4-keto-beta,beta-carotene 4-Ketozeaxanthin adonixanthin
metacyc.compound:CPD-7852 metacycM:CPD-7852	adonixanthin 3,3'-dihydroxy-4-keto-beta,beta-carotene
keggC:M_C15968 seedM:M_cpd14692	secondary/obsolete/fantasy identifier