Search MNXref
 Feedback

N(1),N(5),N(10)-tris[(E)-caffeoyl]spermidine

MNXM6458 is deprecated and here replaced by MNXM1370654
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370654 Image of MNXM1370654
referencechebi:232324
formulaC34H37N3O9
global charge0
mol weight631.682
InChIKeyZKNHGZHOGBDPIA-ZOWBABNGSA-N
InChIInChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+
SMILESO=C(/C=C/C1=CC(O)=C(O)C=C1)NCCCCN(CCCNC(=O)/C=C/C1=CC(O)=C(O)C=C1)C(=O)/C=C/C1=CC=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+ Image of MNXM1370654
SMILES (mnx)[CH2:1]([CH2:2][CH2:18][N:37]([CH2:19][CH2:3][CH2:17]/[N:36]=[C:33](/[CH:14]=[CH:8]/[C:24]1=[CH:21][C:30]([OH:42])=[C:27]([OH:39])[CH:11]=[CH:5]1)[OH:45])[C:34](/[CH:15]=[CH:9]/[C:25]1=[CH:22][C:31]([OH:43])=[C:28]([OH:40])[CH:12]=[CH:6]1)=[O:46])[CH2:16]/[N:35]=[C:32](/[CH:13]=[CH:7]/[C:23]1=[CH:20][C:29]([OH:41])=[C:26]([OH:38])[CH:10]=[CH:4]1)[OH:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:232324
chebi:232324
ZKNHGZHOGBDPIA-ZOWBABNGSA-N 		N(1),N(5),N(10)-tris[(E)-caffeoyl]spermidine
(2E)-3-(3,4-dihydroxyphenyl)-N-(4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
N(1),N(5),N(10)-tris-(E)-caffeoyl spermidine

kegg.compound:C18070
keggC:C18070
ZKNHGZHOGBDPIA-ZOWBABNGSA-N 		N1,N5,N10-Tricaffeoyl spermidine

seed.compound:cpd18052
seedM:cpd18052
ZKNHGZHOGBDPIA-ZOWBABNGSA-N 		N1,N5,N10-Tricaffeoyl spermidine
N1,N5,N10-tricaffeoyl spermidine
tricaffeoyl spermidine

metacyc.compound:CPD-12213
metacycM:CPD-12213
ZKNHGZHOGBDPIA-ZOWBABNGSA-N 		tricaffeoyl spermidine
N1,N5,N10-tricaffeoyl spermidine

keggC:M_C18070
seedM:M_cpd18052 		secondary/obsolete/fantasy identifier