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bisucaberin B

PropertiesImage
MNX_IDMNXM12730 Image of MNXM12730
referencechebi:229779
formulaC18H34N4O7
global charge0
mol weight418.491
InChIKeyBFOMYWUPLOKASM-UHFFFAOYSA-N
InChIInChI=1S/C18H34N4O7/c19-11-3-1-5-13-21(28)16(24)8-7-15(23)20-12-4-2-6-14-22(29)17(25)9-10-18(26)27/h28-29H,1-14,19H2,(H,20,23)(H,26,27)
SMILES[NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H34N4O7/c19-11-3-1-5-13-21(28)16(24)8-7-15(23)20-12-4-2-6-14-22(29)17(25)9-10-18(26)27/h28-29H,1-14,19H2,(H,20,23)(H,26,27) Image of MNXM12730
SMILES (mnx)[CH2:1]([CH2:3][CH2:11][NH2:19])[CH2:5][CH2:13][N:21]([C:16]([CH2:8][CH2:7][C:15](=[N:20][CH2:12][CH2:4][CH2:2][CH2:6][CH2:14][N:22]([C:17]([CH2:9][CH2:10][C:18](=[O:26])[OH:27])=[O:25])[OH:29])[OH:23])=[O:24])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:229779
chebi:229779
BFOMYWUPLOKASM-UHFFFAOYSA-N 		bisucaberin B
4-[(5-{4-[(5-azaniumylpentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)(hydroxy)amino]-4-oxobutanoate
bisucaberin B zwitterion
pre-bisucaberin zwitterion

kegg.compound:C22916
keggC:C22916
BFOMYWUPLOKASM-UHFFFAOYSA-N 		Bisucaberin B
3-[(5-{3-[(5-Aminopentyl)(hydroxy)carbamoyl]propanamido}pentyl)(hydroxy)carbamoyl]propanoate
Pre-bisucaberin

CHEBI:209443
chebi:209443
BFOMYWUPLOKASM-UHFFFAOYSA-N 		bisucaberin B
4-[(5-{4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanamido}pentyl)(hydroxy)amino]-4-oxobutanoic acid
pre-bisucaberin

metacyc.compound:CPD-11974
metacycM:CPD-11974
seed.compound:cpd23172
seedM:cpd23172
BFOMYWUPLOKASM-UHFFFAOYSA-N 		pre-bisucaberin

keggC:M_C22916
seedM:M_cpd23172 		secondary/obsolete/fantasy identifier