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Portulacaxanthin II

MNXM6389 is deprecated and here replaced by MNXM739078
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739078 Image of MNXM739078
referencechebi:8341
formulaC18H18N2O7
global charge0
mol weight374.349
InChIKeyMBFJCQLVRQZZOV-MRHCINOSSA-N
InChIInChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6-/t13-,15-/m0/s1
SMILESO=C(O)C1=C/C(=C/C=N\[C@@H](CC2=CC=C(O)C=C2)C(=O)O)C[C@@H](C(=O)O)N1
MNX internals
InChI (mnx)InChI=1/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,20-21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b11-5-,19-6-/t13-,15-/m0/s1 Image of MNXM739078
SMILES (mnx)[CH:1]1=[CH:3][C:12]([OH:21])=[CH:4][CH:2]=[C:10]1[CH2:7][C@@H:13]([C:16](=[O:22])[OH:23])/[N:19]=[CH:6]\[CH:5]=[C:11]1\[CH:8]=[C:14]([C:17](=[O:24])[OH:25])[NH:20][C@H:15]([C:18](=[O:26])[OH:27])[CH2:9]1
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:8341
chebi:8341
MBFJCQLVRQZZOV-MRHCINOSSA-N 		Portulacaxanthin II
(4E)-4-[(2E)-2-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]imino}ethylidene]-1,2,3,4-tetrahydropyridine-2,6-dicarboxylic acid
Tyrosine-betaxanthin

kegg.compound:C08565
keggC:C08565
MBFJCQLVRQZZOV-MRHCINOSSA-N 		Portulacaxanthin II

seed.compound:cpd05472
seedM:cpd05472
MBFJCQLVRQZZOV-MRHCINOSSA-M 		Portulacaxanthin II
portulacaxanthin II
tyrosine-betaxanthin

metacyc.compound:CPD-8670
metacycM:CPD-8670
MBFJCQLVRQZZOV-MRHCINOSSA-K 		portulacaxanthin II
tyrosine-betaxanthin

keggC:M_C08565
seedM:M_cpd05472 		secondary/obsolete/fantasy identifier