Search MNXref
 Feedback

(+)-zwittermicin A

PropertiesImage
MNX_IDMNXM89465 Image of MNXM89465
referencechebi:80056
formulaC13H28N6O8
global charge0
mol weight396.401
InChIKeyFYIPKJHNWFVEIR-FXQWNPMTSA-N
InChIInChI=1S/C13H28N6O8/c14-4(3-20)6(21)1-7(22)8(15)9(23)10(24)12(26)19-5(11(16)25)2-18-13(17)27/h4-10,20-24H,1-3,14-15H2,(H2,16,25)(H,19,26)(H3,17,18,27)/t4-,5+,6+,7+,8+,9+,10-/m1/s1
SMILESNC(=O)NC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)[C@@H](O)C[C@H](O)[C@H](N)CO)C(N)=O
MNX internals
InChI (mnx)InChI=1/C13H28N6O8/c14-4(3-20)6(21)1-7(22)8(15)9(23)10(24)12(26)19-5(11(16)25)2-18-13(17)27/h4-10,20-24H,1-3,14-15H2,(H2,16,25)(H,19,26)(H3,17,18,27)/t4-,5+,6+,7+,8+,9+,10-/m1/s1 Image of MNXM89465
SMILES (mnx)[CH2:1]([C@@H:6]([C@@H:4]([CH2:3][OH:20])[NH2:14])[OH:21])[C@@H:7]([C@@H:8]([C@@H:9]([C@H:10]([C:12](=[N:19][C@@H:5]([CH2:2][NH:18][C:13](=[NH:17])[OH:27])[C:11](=[NH:16])[OH:25])[OH:26])[OH:24])[OH:23])[NH2:15])[OH:22]
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:80056
chebi:80056
FYIPKJHNWFVEIR-FXQWNPMTSA-N 		(+)-zwittermicin A
(2R,3S,4S,5S,7S,8R)-4,8-diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide

kegg.compound:C15726
keggC:C15726
FYIPKJHNWFVEIR-FXQWNPMTSA-N 		Zwittermicin A

seed.compound:cpd11367
seedM:cpd11367
FYIPKJHNWFVEIR-FXQWNPMTSA-P 		Zwittermicin A
Zwittermicin_A
zwittermicin A

metacyc.compound:CPD-18237
metacycM:CPD-18237
FYIPKJHNWFVEIR-FXQWNPMTSA-P 		zwittermicin A

keggC:M_C15726
seedM:M_cpd11367 		secondary/obsolete/fantasy identifier