MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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N-acetyl-alpha-D-glucosaminyl-phospho-ditrans,octacis-undecaprenol

	Properties	Image
MNX_ID	MNXM163852
reference	metacycM:CPD-19317
formula	C₆₃H₁₀₃NO₉P
global charge	-1
mol weight	1049.489
InChIKey	KHLLRRYDIOHZKU-JXCMATCVSA-M
InChI	InChI=1S/C63H104NO9P/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-71-74(69,70)73-63-60(64-58(13)66)62(68)61(67)59(46-65)72-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)/p-1/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61-,62-,63-/m1/s1
SMILES	CC(=O)N[C@H]1[C@@H](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

MNX internals

InChI (mnx)	InChI=1/C63H104NO9P/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-71-74(69,70)73-63-60(64-58(13)66)62(68)61(67)59(46-65)72-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61-,62-,63-/m1/s1
SMILES (mnx)	[CH3:1][C:47]([CH3:2])=[CH:24][CH2:14][CH2:25]/[C:48]([CH3:3])=[CH:26]/[CH2:15][CH2:27]/[C:49]([CH3:4])=[CH:28]/[CH2:16][CH2:29]/[C:50]([CH3:5])=[CH:30]\[CH2:17][CH2:31]/[C:51]([CH3:6])=[CH:32]\[CH2:18][CH2:33]/[C:52]([CH3:7])=[CH:34]\[CH2:19][CH2:35]/[C:53]([CH3:8])=[CH:36]\[CH2:20][CH2:37]/[C:54]([CH3:9])=[CH:38]\[CH2:21][CH2:39]/[C:55]([CH3:10])=[CH:40]\[CH2:22][CH2:41]/[C:56]([CH3:11])=[CH:42]\[CH2:23][CH2:43]/[C:57]([CH3:12])=[CH:44]\[CH2:45][O:71][P:74]([OH:69])(=[O:70])[O:73][C@@H:63]1[C@H:60]([N:64]=[C:58]([CH3:13])[OH:66])[C@@H:62]([OH:68])[C@H:61]([OH:67])[C@@H:59]([CH2:46][OH:65])[O:72]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-19317 metacycM:CPD-19317 KHLLRRYDIOHZKU-JXCMATCVSA-M	N-acetyl-alpha-D-glucosaminyl-phospho-ditrans,octacis-undecaprenol C55-P-GlcNAc GlcNAc-P-lipid GlcNAc-phosphorylundecaprenol N-acetyl-D-glucosaminylphospho-undecaprenol N-acetyl-D-glucosaminylphosphoundecaprenol N-acetyl-glucosaminyl-phosphorylundecaprenol ditrans,polycis-undecaprenyl-N-acetyl-D-glucosaminyl phosphate prenyl-P-GlcNAc undecaprenyl phospho N-acetyl-glucosamine undecaprenyl-N-acetyl-alpha-D-glucosaminyl-phosphate
seed.compound:cpd35544 seedM:cpd35544 KHLLRRYDIOHZKU-JXCMATCVSA-M	C55-P-GlcNAc GlcNAc-P-lipid GlcNAc-phosphorylundecaprenol N-acetyl-D-glucosaminylphospho-undecaprenol N-acetyl-D-glucosaminylphosphoundecaprenol N-acetyl-alpha-D-glucosaminyl-phospho-ditrans,octacis-undecaprenol N-acetyl-glucosaminyl-phosphorylundecaprenol ditrans,polycis-undecaprenyl-N-acetyl-D-glucosaminyl phosphate prenyl-P-GlcNAc undecaprenyl phospho N-acetyl-glucosamine undecaprenyl-N-acetyl-alpha-D-glucosaminyl-phosphate
seedM:M_cpd35544	secondary/obsolete/fantasy identifier