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9'-cis-neoxanthin

MNXM2498 is deprecated and here replaced by MNXM733013
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM733013

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	2

formula

C₄₀H₅₆O₄

charge

mass

600.41786

reference

chebi:35306

InChIKey

PGYAYSRVSAJXTE-FTLOKQSXSA-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

CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/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:35306 chebi:35306	9'-cis-neoxanthin (3S,3'S,5R,5'R,6R,6'S,8R,9'cis)-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)-9'-cis-6,7-didehydro-5,6,5',6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,5,3'-triol 9'-cis-Neoxanthin
kegg.compound:C13431 keggC:C13431	9'-cis-Neoxanthin
seed.compound:cpd09433 seedM:cpd09433	9'-cis-Neoxanthin 9'-cis-neoxanthin 9c-neoxanthin 9cNeox
lipidmaps:LMPR01070291 lipidmapsM:LMPR01070291	9'-cis-neoxanthin (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'-cis-Neoxanthin 9'-cis-neoxanthin
metacyc.compound:CPD-7424 metacycM:CPD-7424	9'-cis-neoxanthin 9c-neoxanthin 9cNeox
chebi:20813 chebi:31146 keggC:M_C13431 seedM:M_cpd09433	secondary/obsolete/fantasy identifier