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all-trans-neoxanthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM734008

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₄₀H₅₆O₄

charge

mass

600.41786

reference

chebi:32446

InChIKey

PGYAYSRVSAJXTE-CLONMANBSA-N

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

SMILES

C/C(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@@]12O[C@]1(C)C[C@@H](O)CC2(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32446 chebi:32446	all-trans-neoxanthin (3S,3'S,5R,5'R,6R,6'S,8R)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-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-beta,beta-carotene-3,5,3'-triol Neoxanthin all-trans-Neoxanthin
hmdb:HMDB0003020	Neoxanthin (1R,3S)-6-[(1M,3E,5E,7E,9E,11E,13E,15Z,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol (3S,3'S,5R,5'R,6R,6'S,9'-cis)-6,7-Didehydro-5',6'-epoxy-5',6'-dihydro-beta,beta-carotene-3,3',5(6H)-triol (3S,5R,6R,3's,5'r,6's)-9'-cis-6,7-didehydro-5,6,5',6'-tetrahydro-5',6'-Epoxy-b,b-carotene-3,5,3'-triol (3S,5R,6R,3's,5'r,6's)-9'-cis-6,7-didehydro-5,6,5',6'-tetrahydro-5',6'-Epoxy-beta,beta-carotene-3,5,3'-triol (9'Z)-Neoxanthin 9'-cis-Neoxanthin 9'-cis-neoxanthin 9'Z-(6R)-neoxanthin 9-cis-Neoxanthin Foliaxanthin Neoxanthine cis-Neoxanthin
seed.compound:cpd05513 seedM:cpd05513 kegg.compound:C08606 keggC:C08606	Neoxanthin all-trans-Neoxanthin
lipidmaps:LMPR01070290 lipidmapsM:LMPR01070290	all-trans-neoxanthin (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL (3S,5R,6R,3'S,5'R,6'S)-6,7-didehydro-5',6'-epoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3'-triol Neoxanthin all-trans-Neoxanthin neoxanthin
metacyc.compound:CPD1F-135 metacycM:CPD1F-135 seed.compound:cpd26554 seedM:cpd26554	trans-neoxanthin
hmdb:HMDB0036920 hmdb:HMDB03020 hmdb:HMDB36920 chebi:22344 chebi:44249 chebi:7517 keggC:M_C08606 seedM:M_cpd05513 seedM:M_cpd26554	secondary/obsolete/fantasy identifier