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Asn-Ser-Glu

PropertiesImage
MNX_IDMNXM1122693 Image of MNXM1122693
referencechebi:160087
formulaC12H20N4O8
global charge0
mol weight348.312
InChIKeyGZXOUBTUAUAVHD-ACZMJKKPSA-N
InChIInChI=1S/C12H20N4O8/c13-5(3-8(14)18)10(21)16-7(4-17)11(22)15-6(12(23)24)1-2-9(19)20/h5-7,17H,1-4,13H2,(H2,14,18)(H,15,22)(H,16,21)(H,19,20)(H,23,24)/t5-,6-,7-/m0/s1
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C12H20N4O8/c13-5(3-8(14)18)10(21)16-7(4-17)11(22)15-6(12(23)24)1-2-9(19)20/h5-7,17H,1-4,13H2,(H2,14,18)(H,15,22)(H,16,21)(H,19,20)(H,23,24)/t5-,6-,7-/m0/s1 Image of MNXM1122693
SMILES (mnx)[CH2:1]([CH2:2][C:9](=[O:19])[OH:20])[C@@H:6]([C:12](=[O:23])[OH:24])[N:15]=[C:11]([C@H:7]([CH2:4][OH:17])[N:16]=[C:10]([C@H:5]([CH2:3][C:8](=[NH:14])[OH:18])[NH2:13])[OH:21])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:160087
chebi:160087
GZXOUBTUAUAVHD-ACZMJKKPSA-N
Asn-Ser-Glu
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid