Search MNXref
 Feedback

E. coli MLPS

MNXM19410 is deprecated and here replaced by MNXM1106985
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106985 Image of MNXM1106985
referencemetacycM:CPD0-1101
formulaC205H344N2O122P4
global charge-12
mol weight4912.795
InChIKeyNEIQYSKPBDQVES-FQDYUSBNSA-B
InChIInChI=1S/C205H356N2O122P4/c1-12-18-24-30-36-42-43-49-55-61-67-73-123(230)295-102(71-65-59-53-47-40-34-28-22-16-5)77-125(232)306-169-127(207-121(228)76-101(70-64-58-52-46-39-33-27-21-15-4)294-122(229)72-66-60-54-48-41-35-29-23-17-6)184(285-91-116-135(240)168(305-124(231)75-100(219)69-63-57-51-45-38-32-26-20-14-3)126(185(300-116)329-333(280,281)282)206-120(227)74-99(218)68-62-56-50-44-37-31-25-19-13-2)303-119(167(169)326-330(271,272)273)94-289-204(201(267)268)79-110(322-205(202(269)270)78-103(220)129(234)161(324-205)105(222)81-209)166(164(325-204)107(224)83-211)312-196-156(261)176(179(327-331(274,275)276)162(310-196)106(223)82-210)319-197-157(262)177(180(328-332(277,278)279)163(311-197)109(226)89-283-187-147(252)139(244)142(247)159(308-187)104(221)80-208)318-195-154(259)172(136(241)117(302-195)92-286-186-146(251)137(242)130(235)111(84-212)296-186)315-198-178(141(246)131(236)112(85-213)298-198)320-190-149(254)138(243)132(237)115(301-190)90-287-188-148(253)140(245)143(248)160(309-188)108(225)88-284-189-152(257)171(133(238)113(86-214)297-189)313-194-155(260)175(292-97(9)216)158(96(8)291-194)307-193-153(258)170(128(233)95(7)290-193)314-199-182(293-98(10)217)173(134(239)114(87-215)299-199)316-192-151(256)145(250)174(181(321-192)183(263)264)317-191-150(255)144(249)165-118(304-191)93-288-203(11,323-165)200(265)266/h95-96,99-119,126-182,184-199,208-215,218-226,233-262H,12-94H2,1-11H3,(H,206,227)(H,207,228)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H2,271,272,273)(H2,274,275,276)(H2,277,278,279)(H2,280,281,282)/p-12/t95-,96-,99+,100+,101+,102+,103+,104-,105+,106-,107+,108-,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,126+,127+,128+,129+,130-,131+,132+,133+,134-,135+,136+,137-,138-,139-,140-,141-,142-,143-,144+,145+,146+,147-,148-,149+,150+,151+,152+,153-,154+,155-,156-,157-,158+,159+,160+,161+,162+,163+,164+,165-,166+,167+,168+,169+,170+,171-,172-,173-,174-,175-,176+,177+,178+,179+,180+,181-,182+,184+,185+,186-,187-,188-,189+,190+,191+,192+,193-,194-,195+,196+,197+,198+,199+,203+,204+,205+/m0/s1
SMILESCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@H]4O[C@H]([C@H](O)CO[C@H]5O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO[C@H]7O[C@H]([C@@H](O)CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@@H](C)[C@@H](O[C@@H]%10O[C@@H](C)[C@@H](O)[C@@H](O[C@H]%11O[C@H](CO)[C@H](O)[C@H](O[C@@H]%12O[C@H](C(=O)[O-])[C@@H](O[C@H]%13O[C@@H]%14CO[C@@](C)(C(=O)[O-])O[C@@H]%14[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@H]%11OC(C)=O)[C@@H]%10O)[C@@H](OC(C)=O)[C@@H]9O)[C@H]8O)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]([C@H](O)CO)O2)[C@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C205H356N2O122P4/c1-12-18-24-30-36-42-43-49-55-61-67-73-123(230)295-102(71-65-59-53-47-40-34-28-22-16-5)77-125(232)306-169-127(207-121(228)76-101(70-64-58-52-46-39-33-27-21-15-4)294-122(229)72-66-60-54-48-41-35-29-23-17-6)184(285-91-116-135(240)168(305-124(231)75-100(219)69-63-57-51-45-38-32-26-20-14-3)126(185(300-116)329-333(280,281)282)206-120(227)74-99(218)68-62-56-50-44-37-31-25-19-13-2)303-119(167(169)326-330(271,272)273)94-289-204(201(267)268)79-110(322-205(202(269)270)78-103(220)129(234)161(324-205)105(222)81-209)166(164(325-204)107(224)83-211)312-196-156(261)176(179(327-331(274,275)276)162(310-196)106(223)82-210)319-197-157(262)177(180(328-332(277,278)279)163(311-197)109(226)89-283-187-147(252)139(244)142(247)159(308-187)104(221)80-208)318-195-154(259)172(136(241)117(302-195)92-286-186-146(251)137(242)130(235)111(84-212)296-186)315-198-178(141(246)131(236)112(85-213)298-198)320-190-149(254)138(243)132(237)115(301-190)90-287-188-148(253)140(245)143(248)160(309-188)108(225)88-284-189-152(257)171(133(238)113(86-214)297-189)313-194-155(260)175(292-97(9)216)158(96(8)291-194)307-193-153(258)170(128(233)95(7)290-193)314-199-182(293-98(10)217)173(134(239)114(87-215)299-199)316-192-151(256)145(250)174(181(321-192)183(263)264)317-191-150(255)144(249)165-118(304-191)93-288-203(11,323-165)200(265)266/h95-96,99-119,126-182,184-199,208-215,218-226,233-262H,12-94H2,1-11H3,(H,206,227)(H,207,228)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H2,271,272,273)(H2,274,275,276)(H2,277,278,279)(H2,280,281,282)/t95-,96-,99+,100+,101+,102+,103+,104-,105+,106-,107+,108-,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,126+,127+,128+,129+,130-,131+,132+,133+,134-,135+,136+,137-,138-,139-,140-,141-,142-,143-,144+,145+,146+,147-,148-,149+,150+,151+,152+,153-,154+,155-,156-,157-,158+,159+,160+,161+,162+,163+,164+,165-,166+,167+,168+,169+,170+,171-,172-,173-,174-,175-,176+,177+,178+,179+,180+,181-,182+,184+,185+,186-,187-,188-,189+,190+,191+,192+,193-,194-,195+,196+,197+,198+,199+,203+,204+,205+/m0/s1 Image of MNXM1106985
SMILES (mnx)[CH3:1][CH2:12][CH2:18][CH2:24][CH2:30][CH2:36][CH2:42][CH2:43][CH2:49][CH2:55][CH2:61][CH2:67][CH2:73][C:123](=[O:230])[O:295][C@H:102]([CH2:71][CH2:65][CH2:59][CH2:53][CH2:47][CH2:40][CH2:34][CH2:28][CH2:22][CH2:16][CH3:5])[CH2:77][C:125](=[O:232])[O:306][C@@H:169]1[C@@H:127]([N:207]=[C:121]([CH2:76][C@@H:101]([CH2:70][CH2:64][CH2:58][CH2:52][CH2:46][CH2:39][CH2:33][CH2:27][CH2:21][CH2:15][CH3:4])[O:294][C:122]([CH2:72][CH2:66][CH2:60][CH2:54][CH2:48][CH2:41][CH2:35][CH2:29][CH2:23][CH2:17][CH3:6])=[O:229])[OH:228])[C@H:184]([O:285][CH2:91][C@@H:116]2[C@@H:135]([OH:240])[C@H:168]([O:305][C:124]([CH2:75][C@@H:100]([CH2:69][CH2:63][CH2:57][CH2:51][CH2:45][CH2:38][CH2:32][CH2:26][CH2:20][CH2:14][CH3:3])[OH:219])=[O:231])[C@@H:126]([N:206]=[C:120]([CH2:74][C@@H:99]([CH2:68][CH2:62][CH2:56][CH2:50][CH2:44][CH2:37][CH2:31][CH2:25][CH2:19][CH2:13][CH3:2])[OH:218])[OH:227])[C@@H:185]([O:329][P:333]([OH:280])([OH:281])=[O:282])[O:300]2)[O:303][C@H:119]([CH2:94][O:289][C@:204]2([C:201](=[O:267])[OH:268])[CH2:79][C@@H:110]([O:322][C@:205]3([C:202](=[O:269])[OH:270])[CH2:78][C@@H:103]([OH:220])[C@@H:129]([OH:234])[C@@H:161]([C@@H:105]([CH2:81][OH:209])[OH:222])[O:324]3)[C@@H:166]([O:312][C@@H:196]3[C@@H:156]([OH:261])[C@@H:176]([O:319][C@@H:197]4[C@@H:157]([OH:262])[C@@H:177]([O:318][C@@H:195]5[C@H:154]([OH:259])[C@@H:172]([O:315][C@@H:198]6[C@H:178]([O:320][C@@H:190]7[C@H:149]([OH:254])[C@@H:138]([OH:243])[C@H:132]([OH:237])[C@@H:115]([CH2:90][O:287][C@@H:188]8[C@@H:148]([OH:253])[C@@H:140]([OH:245])[C@H:143]([OH:248])[C@@H:160]([C@H:108]([CH2:88][O:284][C@H:189]9[C@H:152]([OH:257])[C@@H:171]([O:313][C@H:194]%10[C@@H:155]([OH:260])[C@H:175]([O:292][C:97]([CH3:9])=[O:216])[C@H:158]([O:307][C@H:193]%11[C@@H:153]([OH:258])[C@H:170]([O:314][C@@H:199]%12[C@H:182]([O:293][C:98]([CH3:10])=[O:217])[C@@H:173]([O:316][C@H:192]%13[C@H:151]([OH:256])[C@@H:145]([OH:250])[C@H:174]([O:317][C@@H:191]%14[C@H:150]([OH:255])[C@@H:144]([OH:249])[C@@H:165]%15[C@@H:118]([CH2:93][O:288][C@@:203]([CH3:11])([C:200](=[O:265])[OH:266])[O:323]%15)[O:304]%14)[C@@H:181]([C:183](=[O:263])[OH:264])[O:321]%13)[C@@H:134]([OH:239])[C@@H:114]([CH2:87][OH:215])[O:299]%12)[C@H:128]([OH:233])[C@H:95]([CH3:7])[O:290]%11)[C@H:96]([CH3:8])[O:291]%10)[C@H:133]([OH:238])[C@@H:113]([CH2:86][OH:214])[O:297]9)[OH:225])[O:309]8)[O:301]7)[C@@H:141]([OH:246])[C@H:131]([OH:236])[C@@H:112]([CH2:85][OH:213])[O:298]6)[C@H:136]([OH:241])[C@@H:117]([CH2:92][O:286][C@@H:186]6[C@H:146]([OH:251])[C@@H:137]([OH:242])[C@@H:130]([OH:235])[C@@H:111]([CH2:84][OH:212])[O:296]6)[O:302]5)[C@H:180]([O:328][P:332]([OH:277])([OH:278])=[O:279])[C@@H:163]([C@@H:109]([CH2:89][O:283][C@@H:187]5[C@@H:147]([OH:252])[C@@H:139]([OH:244])[C@H:142]([OH:247])[C@@H:159]([C@H:104]([CH2:80][OH:208])[OH:221])[O:308]5)[OH:226])[O:311]4)[C@H:179]([O:327][P:331]([OH:274])([OH:275])=[O:276])[C@@H:162]([C@H:106]([CH2:82][OH:210])[OH:223])[O:310]3)[C@@H:164]([C@@H:107]([CH2:83][OH:211])[OH:224])[O:325]2)[C@H:167]1[O:326][P:330]([OH:271])([OH:272])=[O:273]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD0-1101
metacycM:CPD0-1101
NEIQYSKPBDQVES-FQDYUSBNSA-B 		E. coli MLPS
E. coli M-antigen - core oligosaccharide-lipid A
MLPS