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(enterobacterial common antigen)4-undecaprenyl diphosphate

PropertiesImage
MNX_IDMNXM1137713 Image of MNXM1137713
referencemetacycM:CPD0-2138
formulaC151H234N12O67P2
global charge-6
mol weight3351.498
InChIKeyFWMHOCJQWPJMQV-JQQGILLWSA-H
InChIInChI=1S/C151H240N12O67P2/c1-65(2)39-29-40-66(3)41-30-42-67(4)43-31-44-68(5)45-32-46-69(6)47-33-48-70(7)49-34-50-71(8)51-35-52-72(9)53-36-54-73(10)55-37-56-74(11)57-38-58-75(12)59-60-205-231(201,202)230-232(203,204)229-147-107(163-91(28)179)112(184)124(95(64-167)213-147)217-146-106(162-90(27)178)116(188)131(135(228-146)139(199)200)224-151-120(192)127(99(79(16)209-151)155-83(20)171)220-142-102(158-86(23)174)111(183)123(94(63-166)212-142)216-145-105(161-89(26)177)115(187)130(134(227-145)138(197)198)223-150-119(191)126(98(78(15)208-150)154-82(19)170)219-141-101(157-85(22)173)110(182)122(93(62-165)211-141)215-144-104(160-88(25)176)114(186)129(133(226-144)137(195)196)222-149-118(190)125(97(77(14)207-149)153-81(18)169)218-140-100(156-84(21)172)109(181)121(92(61-164)210-140)214-143-103(159-87(24)175)113(185)128(132(225-143)136(193)194)221-148-117(189)108(180)96(76(13)206-148)152-80(17)168/h39,41,43,45,47,49,51,53,55,57,59,76-79,92-135,140-151,164-167,180-192H,29-38,40,42,44,46,48,50,52,54,56,58,60-64H2,1-28H3,(H,152,168)(H,153,169)(H,154,170)(H,155,171)(H,156,172)(H,157,173)(H,158,174)(H,159,175)(H,160,176)(H,161,177)(H,162,178)(H,163,179)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)/p-6/b66-41-,67-43-,68-45-,69-47-,70-49-,71-51-,72-53-,73-55-,74-57-,75-59-/t76-,77-,78-,79-,92-,93-,94-,95-,96+,97+,98+,99+,100-,101-,102-,103+,104+,105+,106+,107-,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-/m1/s1
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]6[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@H](NC(C)=O)[C@H](O[C@H]8[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]9[C@@H](O)[C@@H](O[C@H]%10[C@H](O)[C@H](NC(C)=O)[C@H](O[C@H]%11[C@H](O)[C@@H](NC(C)=O)[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]%11CO)O[C@@H]%10C(=O)[O-])O[C@H](C)[C@@H]9NC(C)=O)O[C@@H]8CO)O[C@@H]7C(=O)[O-])O[C@H](C)[C@@H]6NC(C)=O)O[C@@H]5CO)O[C@@H]4C(=O)[O-])O[C@H](C)[C@@H]3NC(C)=O)O[C@@H]2CO)O[C@H](C(=O)[O-])[C@@H](O[C@H]2O[C@H](C)[C@H](NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C151H240N12O67P2/c1-65(2)39-29-40-66(3)41-30-42-67(4)43-31-44-68(5)45-32-46-69(6)47-33-48-70(7)49-34-50-71(8)51-35-52-72(9)53-36-54-73(10)55-37-56-74(11)57-38-58-75(12)59-60-205-231(201,202)230-232(203,204)229-147-107(163-91(28)179)112(184)124(95(64-167)213-147)217-146-106(162-90(27)178)116(188)131(135(228-146)139(199)200)224-151-120(192)127(99(79(16)209-151)155-83(20)171)220-142-102(158-86(23)174)111(183)123(94(63-166)212-142)216-145-105(161-89(26)177)115(187)130(134(227-145)138(197)198)223-150-119(191)126(98(78(15)208-150)154-82(19)170)219-141-101(157-85(22)173)110(182)122(93(62-165)211-141)215-144-104(160-88(25)176)114(186)129(133(226-144)137(195)196)222-149-118(190)125(97(77(14)207-149)153-81(18)169)218-140-100(156-84(21)172)109(181)121(92(61-164)210-140)214-143-103(159-87(24)175)113(185)128(132(225-143)136(193)194)221-148-117(189)108(180)96(76(13)206-148)152-80(17)168/h39,41,43,45,47,49,51,53,55,57,59,76-79,92-135,140-151,164-167,180-192H,29-38,40,42,44,46,48,50,52,54,56,58,60-64H2,1-28H3,(H,152,168)(H,153,169)(H,154,170)(H,155,171)(H,156,172)(H,157,173)(H,158,174)(H,159,175)(H,160,176)(H,161,177)(H,162,178)(H,163,179)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)/b66-41-,67-43-,68-45-,69-47-,70-49-,71-51-,72-53-,73-55-,74-57-,75-59-/t76-,77-,78-,79-,92-,93-,94-,95-,96+,97+,98+,99+,100-,101-,102-,103+,104+,105+,106+,107-,108+,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-/m1/s1 Image of MNXM1137713
SMILES (mnx)[CH3:1][C:65]([CH3:2])=[CH:39][CH2:29][CH2:40]/[C:66]([CH3:3])=[CH:41]\[CH2:30][CH2:42]/[C:67]([CH3:4])=[CH:43]\[CH2:31][CH2:44]/[C:68]([CH3:5])=[CH:45]\[CH2:32][CH2:46]/[C:69]([CH3:6])=[CH:47]\[CH2:33][CH2:48]/[C:70]([CH3:7])=[CH:49]\[CH2:34][CH2:50]/[C:71]([CH3:8])=[CH:51]\[CH2:35][CH2:52]/[C:72]([CH3:9])=[CH:53]\[CH2:36][CH2:54]/[C:73]([CH3:10])=[CH:55]\[CH2:37][CH2:56]/[C:74]([CH3:11])=[CH:57]\[CH2:38][CH2:58]/[C:75]([CH3:12])=[CH:59]\[CH2:60][O:205][P:231]([OH:201])(=[O:202])[O:230][P:232]([OH:203])(=[O:204])[O:229][C@@H:147]1[C@H:107]([N:163]=[C:91]([CH3:28])[OH:179])[C@@H:112]([OH:184])[C@H:124]([O:217][C@H:146]2[C@@H:106]([N:162]=[C:90]([CH3:27])[OH:178])[C@@H:116]([OH:188])[C@H:131]([O:224][C@@H:151]3[C@H:120]([OH:192])[C@@H:127]([O:220][C@@H:142]4[C@H:102]([N:158]=[C:86]([CH3:23])[OH:174])[C@@H:111]([OH:183])[C@H:123]([O:216][C@H:145]5[C@@H:105]([N:161]=[C:89]([CH3:26])[OH:177])[C@@H:115]([OH:187])[C@H:130]([O:223][C@@H:150]6[C@H:119]([OH:191])[C@@H:126]([O:219][C@@H:141]7[C@H:101]([N:157]=[C:85]([CH3:22])[OH:173])[C@@H:110]([OH:182])[C@H:122]([O:215][C@H:144]8[C@@H:104]([N:160]=[C:88]([CH3:25])[OH:176])[C@@H:114]([OH:186])[C@H:129]([O:222][C@@H:149]9[C@H:118]([OH:190])[C@@H:125]([O:218][C@@H:140]%10[C@H:100]([N:156]=[C:84]([CH3:21])[OH:172])[C@@H:109]([OH:181])[C@H:121]([O:214][C@H:143]%11[C@@H:103]([N:159]=[C:87]([CH3:24])[OH:175])[C@@H:113]([OH:185])[C@H:128]([O:221][C@@H:148]%12[C@H:117]([OH:189])[C@@H:108]([OH:180])[C@@H:96]([N:152]=[C:80]([CH3:17])[OH:168])[C@@H:76]([CH3:13])[O:206]%12)[C@@H:132]([C:136](=[O:193])[OH:194])[O:225]%11)[C@@H:92]([CH2:61][OH:164])[O:210]%10)[C@@H:97]([N:153]=[C:81]([CH3:18])[OH:169])[C@@H:77]([CH3:14])[O:207]9)[C@@H:133]([C:137](=[O:195])[OH:196])[O:226]8)[C@@H:93]([CH2:62][OH:165])[O:211]7)[C@@H:98]([N:154]=[C:82]([CH3:19])[OH:170])[C@@H:78]([CH3:15])[O:208]6)[C@@H:134]([C:138](=[O:197])[OH:198])[O:227]5)[C@@H:94]([CH2:63][OH:166])[O:212]4)[C@@H:99]([N:155]=[C:83]([CH3:20])[OH:171])[C@@H:79]([CH3:16])[O:209]3)[C@@H:135]([C:139](=[O:199])[OH:200])[O:228]2)[C@@H:95]([CH2:64][OH:167])[O:213]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD0-2138
metacycM:CPD0-2138
FWMHOCJQWPJMQV-JQQGILLWSA-H 		(enterobacterial common antigen)4-undecaprenyl diphosphate

seed.compound:cpd15458
seedM:cpd15458
FWMHOCJQWPJMQV-JQQGILLWSA-H 		(enterobacterial common antigen)x4 undecaprenyl-diphosphate
(enterobacterial common antigen)4-undecaprenyl diphosphate
eca4und

seedM:M_cpd15458 		secondary/obsolete/fantasy identifier