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N(1),N(8)-bis[(E)-sinapoyl]-spermidine

PropertiesImage
MNX_IDMNXM146596 Image of MNXM146596
referencechebi:85006
formulaC29H40N3O8
global charge1
mol weight558.652
InChIKeyPMOOGLRNGWRADJ-GFULKKFKSA-O
InChIInChI=1S/C29H39N3O8/c1-37-22-16-20(17-23(38-2)28(22)35)8-10-26(33)31-14-6-5-12-30-13-7-15-32-27(34)11-9-21-18-24(39-3)29(36)25(19-21)40-4/h8-11,16-19,30,35-36H,5-7,12-15H2,1-4H3,(H,31,33)(H,32,34)/p+1/b10-8+,11-9+
SMILESCOC1=CC(/C=C/C(=O)NCCCC[NH2+]CCCNC(=O)/C=C/C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C29H39N3O8/c1-37-22-16-20(17-23(38-2)28(22)35)8-10-26(33)31-14-6-5-12-30-13-7-15-32-27(34)11-9-21-18-24(39-3)29(36)25(19-21)40-4/h8-11,16-19,30,35-36H,5-7,12-15H2,1-4H3,(H,31,33)(H,32,34)/b10-8+,11-9+ Image of MNXM146596
SMILES (mnx)[CH3:1][O:37][C:22]1=[C:28]([OH:35])[C:23]([O:38][CH3:2])=[CH:17][C:20](/[CH:8]=[CH:10]/[C:26](=[N:31]/[CH2:14][CH2:6][CH2:5][CH2:12][NH:30][CH2:13][CH2:7][CH2:15]/[N:32]=[C:27](/[CH:11]=[CH:9]/[C:21]2=[CH:18][C:24]([O:39][CH3:3])=[C:29]([OH:36])[C:25]([O:40][CH3:4])=[CH:19]2)[OH:34])[OH:33])=[CH:16]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85006
chebi:85006
PMOOGLRNGWRADJ-GFULKKFKSA-O 		N(1),N(8)-bis[(E)-sinapoyl]-spermidine
N(1),N(8)-bis(sinapoyl)-spermidine(1+)

CHEBI:85300
chebi:85300
PMOOGLRNGWRADJ-GFULKKFKSA-N 		N(1),N(8)-bis(sinapoyl)-spermidine

kegg.compound:C21170
keggC:C21170
PMOOGLRNGWRADJ-GFULKKFKSA-N 		N1,N8-Bis(sinapoyl)spermidine
N1,N10-Disinapoyl spermidine

metacyc.compound:CPD-17698
metacycM:CPD-17698
seed.compound:cpd33645
seedM:cpd33645
PMOOGLRNGWRADJ-GFULKKFKSA-O 		N1,N8-bis(sinapoyl)-spermidine

keggC:M_C21170
seedM:M_cpd33645 		secondary/obsolete/fantasy identifier