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hordatine A

MNXM18540 is deprecated and here replaced by MNXM731986
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731986 Image of MNXM731986
referencechebi:5762
formulaC28H38N8O4
global charge0
mol weight550.664
InChIKeyKVYNYRIOAYQBFK-AIIPJEMGSA-N
InChIInChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1
SMILESN=C(N)NCCCCNC(=O)/C=C/C1=CC2=C(C=C1)O[C@H](C1=CC=C(O)C=C1)[C@H]2C(=O)NCCCCNC(=N)N
MNX internals
InChI (mnx)InChI=1/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1 Image of MNXM731986
SMILES (mnx)[CH2:1]([CH2:3][CH2:15][NH:35][C:27](=[NH:29])[NH2:30])[CH2:13]/[N:33]=[C:23](/[CH:12]=[CH:6]/[C:18]1=[CH:17][C:21]2=[C:22]([CH:11]=[CH:5]1)[O:40][C@H:25]([C:19]1=[CH:8][CH:10]=[C:20]([OH:37])[CH:9]=[CH:7]1)[C@H:24]2[C:26](=[N:34][CH2:14][CH2:2][CH2:4][CH2:16][NH:36][C:28](=[NH:31])[NH2:32])[OH:39])[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5762
chebi:5762
KVYNYRIOAYQBFK-AIIPJEMGSA-N 		hordatine A
(2S,3S)-N-(4-carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxoprop-1-en-1-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

kegg.compound:C08307
keggC:C08307
KVYNYRIOAYQBFK-AIIPJEMGSA-N 		Hordatine A

keggC:M_C08307 		secondary/obsolete/fantasy identifier