a peptidoglycan dimer (E. faeciums)
Chemical Formula:
C141H232N22O47P2
Molecular Weight:
3049.45 Daltons
Monoisotopic Mass:
3051.6228459486997 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CC([N+])C(N)=O)C(NC(C)C(=O)NC(C)C(=O)[O-])=O)C(=O)N)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CC([N+])C(N)=O)C(NC(C)C(=O)NC(C)C(=O)[O-])=O)C(=O)N)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))C)C)C)C)C)C)C
InChI:
1S/C141H234N22O47P2/c1-75(2)39-29-40-76(3)41-30-42-77(4)43-31-44-78(5)45-32-46-79(6)47-33-48-80(7)49-34-50-81(8)51-35-52-82(9)53-36-54-83(10)55-37-56-84(11)57-38-58-85(12)65-68-199-211(195,196)210-212(197,198)209-141-115(159-97(24)171)123(201-93(20)133(188)151-89(16)131(186)163-101(127(147)182)62-64-109(173)161-103(60-26-28-67-149-111(175)70-99(143)125(145)180)135(190)153-87(14)129(184)155-91(18)137(193)194)121(107(74-167)205-141)208-139-113(157-95(22)169)118(178)119(105(72-165)203-139)206-140-114(158-96(23)170)122(120(106(73-166)204-140)207-138-112(156-94(21)168)117(177)116(176)104(71-164)202-138)200-92(19)132(187)150-88(15)130(185)162-100(126(146)181)61-63-108(172)160-102(59-25-27-66-148-110(174)69-98(142)124(144)179)134(189)152-86(13)128(183)154-90(17)136(191)192/h39,41,43,45,47,49,51,53,55,57,65,86-93,98-107,112-123,138-141,164-167,176-178H,25-38,40,42,44,46,48,50,52,54,56,58-64,66-74,142-143H2,1-24H3,(H2,144,179)(H2,145,180)(H2,146,181)(H2,147,182)(H,148,174)(H,149,175)(H,150,187)(H,151,188)(H,152,189)(H,153,190)(H,154,183)(H,155,184)(H,156,168)(H,157,169)(H,158,170)(H,159,171)(H,160,172)(H,161,173)(H,162,185)(H,163,186)(H,191,192)(H,193,194)(H,195,196)(H,197,198)/p-2/b76-41+,77-43+,78-45-,79-47-,80-49-,81-51-,82-53-,83-55-,84-57-,85-65-/t86-,87-,88?,89?,90-,91-,92+,93+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,138-,139-,140+,141+/m0/s1
InChIKey:
Synonyms
- [N-acetylglucosamine-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-(Gly5)-D-alanyl-D-alanine]2 diphospho-undecaprenyl
Databases
MetaCyc:
CPD-12310
Seed:
cpd23345
MetaNetX:
MNXM10535