UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine (Q27101857)

UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys) (English)

Uridine 5'diphospho N-Acetyl Muramoyl-L-Alanyl-D-Glutamyl-L-Lysine

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₅N₇O₂₄P₂

1 reference

UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys) (English)

5 October 2016

canonical SMILES

CC(C(=O)NC(CCC(=O)NC(CCCCN)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C

1 reference

UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys) (English)

5 October 2016

isomeric SMILES

C[C@@H](C(=O)NC(CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)C(C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O

1 reference

UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys) (English)

InChI=1S/C34H55N7O24P2/c1-14(28(49)39-18(32(53)54)7-8-21(44)38-17(31(51)52)6-4-5-10-35)36-29(50)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)47)64-67(58,59)65-66(56,57)60-13-20-24(46)26(48)30(62-20)41-11-9-22(45)40-34(41)55/h9,11,14-15,17-20,23-27,30,33,42,46-48H,4-8,10,12-13,35H2,1-3H3,(H,36,50)(H,37,43)(H,38,44)(H,39,49)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H,40,45,55)/t14-,15?,17-,18?,19+,20+,23+,24+,25+,26+,27+,30+,33?/m0/s1

5 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

WXBLSQNZKMJACT-SUZIGWMFSA-N

2 references

UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys) (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-2-{[4-({(2S)-2-[(2-{[(3R,4R,5S,6R)-3-Acetamido-2-{[{[{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phospho (English)

5 October 2016

1 reference