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UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate

Properties

Image

Occurences in reactions

MNX_ID

MNXM162000

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₁H₆₄N₈O₂₉P₂

charge

mass

1194.32544

reference

chebi:176939

InChIKey

VSLSOBWWVNOTRU-VWUNIXDHSA-N

InChI

InChI=1S/C41H64N8O29P2/c1-15(32(57)47-22(38(64)65)9-10-25(52)46-21(8-6-7-20(42)37(62)63)34(59)44-16(2)39(66)74-18(4)36(60)61)43-33(58)17(3)73-31-27(45-19(5)51)40(76-23(13-50)29(31)55)77-80(70,71)78-79(68,69)72-14-24-28(54)30(56)35(75-24)49-12-11-26(53)48-41(49)67/h11-12,15-18,20-24,27-31,35,40,50,54-56H,6-10,13-14,42H2,1-5H3,(H,43,58)(H,44,59)(H,45,51)(H,46,52)(H,47,57)(H,60,61)(H,62,63)(H,64,65)(H,68,69)(H,70,71)(H,48,53,67)/t15-,16+,17+,18+,20-,21-,22+,23+,24+,27+,28+,29+,30+,31+,35+,40+/m0/s1

SMILES

CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:176939 chebi:176939	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate (2S,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[(1R)-1-carboxyethoxy]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
kegg.compound:C20880 keggC:C20880	UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-LL-2,6-diaminopimeloyl-D-alanyl-D-lactate
keggC:M_C20880	secondary/obsolete/fantasy identifier