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Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate

PropertiesImage
MNX_IDMNXM1371384 Image of MNXM1371384
referencechebi:60032
formulaC86H140N7O21P2
global charge-3
mol weight1670.042
InChIKeySULOOAFLXMQJSF-OGDYFQGPSA-K
InChIInChI=1S/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(97)75(56-94)112-86)111-71(16)82(100)88-69(14)81(99)93-74(85(104)105)51-52-76(96)92-73(50-18-19-54-87)83(101)89-68(13)80(98)90-70(15)84(102)103/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,97H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,100)(H,89,101)(H,90,98)(H,91,95)(H,92,96)(H,93,99)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/p-3/b58-32+,59-34+,60-36-,61-38-,62-40-,63-42-,64-44-,65-46-,66-48-,67-53-/t68-,69+,70-,71-,73+,74-,75-,77-,78-,79-,86-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)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](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(97)75(56-94)112-86)111-71(16)82(100)88-69(14)81(99)93-74(85(104)105)51-52-76(96)92-73(50-18-19-54-87)83(101)89-68(13)80(98)90-70(15)84(102)103/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,97H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,100)(H,89,101)(H,90,98)(H,91,95)(H,92,96)(H,93,99)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/b58-32+,59-34+,60-36-,61-38-,62-40-,63-42-,64-44-,65-46-,66-48-,67-53-/t68-,69+,70-,71-,73+,74-,75-,77-,78-,79-,86-/m1/s1 Image of MNXM1371384
SMILES (mnx)[CH3:1][C:57]([CH3:2])=[CH:30][CH2:20][CH2:31]/[C:58]([CH3:3])=[CH:32]/[CH2:21][CH2:33]/[C:59]([CH3:4])=[CH:34]/[CH2:22][CH2:35]/[C:60]([CH3:5])=[CH:36]\[CH2:23][CH2:37]/[C:61]([CH3:6])=[CH:38]\[CH2:24][CH2:39]/[C:62]([CH3:7])=[CH:40]\[CH2:25][CH2:41]/[C:63]([CH3:8])=[CH:42]\[CH2:26][CH2:43]/[C:64]([CH3:9])=[CH:44]\[CH2:27][CH2:45]/[C:65]([CH3:10])=[CH:46]\[CH2:28][CH2:47]/[C:66]([CH3:11])=[CH:48]\[CH2:29][CH2:49]/[C:67]([CH3:12])=[CH:53]\[CH2:55][O:110][P:115]([OH:106])(=[O:107])[O:114][P:116]([OH:108])(=[O:109])[O:113][C@@H:86]1[C@H:77]([N:91]=[C:72]([CH3:17])[OH:95])[C@@H:79]([O:111][C@H:71]([CH3:16])[C:82](=[N:88][C@@H:69]([CH3:14])[C:81](=[N:93][C@H:74]([CH2:51][CH2:52][C:76](=[N:92][C@@H:73]([CH2:50][CH2:18][CH2:19][CH2:54][NH2:87])[C:83](=[N:89][C@H:68]([CH3:13])[C:80](=[N:90][C@H:70]([CH3:15])[C:84](=[O:102])[OH:103])[OH:98])[OH:101])[OH:96])[C:85](=[O:104])[OH:105])[OH:99])[OH:100])[C@H:78]([OH:97])[C@@H:75]([CH2:56][OH:94])[O:112]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60032
chebi:60032
SULOOAFLXMQJSF-OGDYFQGPSA-K 		Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate
N-[(4R)-4-({N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-({[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}oxy)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alanyl}amino)-4-carboxylatobutanoyl]-6-azaniumyl-L-norleucyl-N-[(1R)-1-carboxylatoethyl]-D-alaninamide
undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine(3-)

SLM:000597995
slm:000597995
SULOOAFLXMQJSF-OGDYFQGPSA-K 		Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphospho-di-trans,octa-cis-undecaprenol

seed.compound:cpd02948
seedM:cpd02948
SULOOAFLXMQJSF-OGDYFQGPSA-K 		MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho- undecaprenol
MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol
Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L- lysyl-D-alanyl-D-alanine
Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
uaGgla

seed.compound:cpd22489
seedM:cpd22489
SULOOAFLXMQJSF-OGDYFQGPSA-K 		N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl- D-alanyl-D-alanine-diphosphoundecaprenol
mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol
undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl- D-alanyl-D-alanine

metacyc.compound:C4
metacycM:C4
SULOOAFLXMQJSF-OGDYFQGPSA-K 		Und-PP-MurNAc-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala
MurNAc(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-PP-Und
lipid I
undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl- D-alanyl-D-alanine

vmhM:uaGgla
vmhmetabolite:uaGgla
SULOOAFLXMQJSF-OGDYFQGPSA-N 		Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine

CHEBI:37738
chebi:37738
SULOOAFLXMQJSF-OGDYFQGPSA-N 		undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine
MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol
N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine
Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine

chebi:13386
chebi:13387
chebi:27206
chebi:28916
chebi:7026
seedM:M_cpd02948
seedM:M_cpd22489
vmhM:M_uaGgla 		secondary/obsolete/fantasy identifier