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all-trans-neoxanthin

MNXM3211 is deprecated and here replaced by MNXM1371444
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371444 Image of MNXM1371444
referencechebi:32446
formulaC40H56O4
global charge0
mol weight600.884
InChIKeyPGYAYSRVSAJXTE-CLONMANBSA-N
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
SMILESC/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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1371444
SMILES (mnx)[CH3:1][C:29](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:30]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:32]([CH3:4])\[CH:23]=[CH:24]\[C@:40]12[C:37]([CH3:7])([CH3:8])[CH2:26][C@H:34]([OH:42])[CH2:28][C@@:39]1([CH3:10])[O:44]2)/[CH:17]=[CH:13]/[CH:19]=[C:31](\[CH3:3])[CH:21]=[C:22]=[C:35]1[C:36]([CH3:5])([CH3:6])[CH2:25][C@H:33]([OH:41])[CH2:27][C@@:38]1([CH3:9])[OH:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32446
chebi:32446
PGYAYSRVSAJXTE-CLONMANBSA-N 		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

vmhM:cnxthn
vmhmetabolite:cnxthn
PGYAYSRVSAJXTE-CLONMANBSA-N 		9-cis-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-ylid

seed.compound:cpd05513
seedM:cpd05513
kegg.compound:C08606
keggC:C08606
PGYAYSRVSAJXTE-CLONMANBSA-N 		Neoxanthin
all-trans-Neoxanthin

lipidmaps:LMPR01070290
lipidmapsM:LMPR01070290
PGYAYSRVSAJXTE-CLONMANBSA-N 		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
PGYAYSRVSAJXTE-CLONMANBSA-N 		trans-neoxanthin

chebi:22344
chebi:44249
chebi:7517
keggC:M_C08606
seedM:M_cpd05513
seedM:M_cpd26554
vmhM:M_cnxthn 		secondary/obsolete/fantasy identifier