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galactosyl-(1->6)-glucosyl-(1->3)-(heptosyl)3-Kdo2-lipid A-bisphosphate (E. coli)

MNXM92330 is deprecated and here replaced by MNXM1372554
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372554 Image of MNXM1372554
referencemetacycM:CPD0-936
formulaC143H250N2O73P4
global charge-10
mol weight3289.41
InChIKeyANYWVBWOMFKRSV-BZHVVVLMSA-D
InChIInChI=1S/C143H260N2O73P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-102(162)199-87(66-60-54-48-42-35-29-23-17-11-5)72-104(164)205-128-106(145-100(160)71-86(65-59-53-47-41-34-28-22-16-10-4)198-101(161)67-61-55-49-43-36-30-24-18-12-6)133(195-82-97-110(168)127(204-103(163)70-85(152)64-58-52-46-40-33-27-21-15-9-3)105(134(201-97)218-222(191,192)193)144-99(159)69-84(151)63-57-51-45-39-32-26-20-14-8-2)203-98(126(128)215-219(182,183)184)83-197-142(140(178)179)74-94(212-143(141(180)181)73-88(153)107(165)121(213-143)90(155)76-147)125(124(214-142)92(157)78-149)209-138-118(176)129(131(216-220(185,186)187)122(207-138)91(156)77-148)211-139-119(177)130(210-137-117(175)112(170)109(167)96(202-137)81-196-135-115(173)111(169)108(166)95(79-150)200-135)132(217-221(188,189)190)123(208-139)93(158)80-194-136-116(174)113(171)114(172)120(206-136)89(154)75-146/h84-98,105-139,146-158,165-177H,7-83H2,1-6H3,(H,144,159)(H,145,160)(H,178,179)(H,180,181)(H2,182,183,184)(H2,185,186,187)(H2,188,189,190)(H2,191,192,193)/p-10/t84-,85-,86-,87-,88-,89+,90-,91+,92-,93-,94-,95-,96-,97-,98-,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+,136+,137-,138-,139-,142-,143-/m1/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]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/C143H260N2O73P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-102(162)199-87(66-60-54-48-42-35-29-23-17-11-5)72-104(164)205-128-106(145-100(160)71-86(65-59-53-47-41-34-28-22-16-10-4)198-101(161)67-61-55-49-43-36-30-24-18-12-6)133(195-82-97-110(168)127(204-103(163)70-85(152)64-58-52-46-40-33-27-21-15-9-3)105(134(201-97)218-222(191,192)193)144-99(159)69-84(151)63-57-51-45-39-32-26-20-14-8-2)203-98(126(128)215-219(182,183)184)83-197-142(140(178)179)74-94(212-143(141(180)181)73-88(153)107(165)121(213-143)90(155)76-147)125(124(214-142)92(157)78-149)209-138-118(176)129(131(216-220(185,186)187)122(207-138)91(156)77-148)211-139-119(177)130(210-137-117(175)112(170)109(167)96(202-137)81-196-135-115(173)111(169)108(166)95(79-150)200-135)132(217-221(188,189)190)123(208-139)93(158)80-194-136-116(174)113(171)114(172)120(206-136)89(154)75-146/h84-98,105-139,146-158,165-177H,7-83H2,1-6H3,(H,144,159)(H,145,160)(H,178,179)(H,180,181)(H2,182,183,184)(H2,185,186,187)(H2,188,189,190)(H2,191,192,193)/t84-,85-,86-,87-,88-,89+,90-,91+,92-,93-,94-,95-,96-,97-,98-,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+,136+,137-,138-,139-,142-,143-/m1/s1 Image of MNXM1372554
SMILES (mnx)[CH3:1][CH2:7][CH2:13][CH2:19][CH2:25][CH2:31][CH2:37][CH2:38][CH2:44][CH2:50][CH2:56][CH2:62][CH2:68][C:102](=[O:162])[O:199][C@H:87]([CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:35][CH2:29][CH2:23][CH2:17][CH2:11][CH3:5])[CH2:72][C:104](=[O:164])[O:205][C@@H:128]1[C@@H:106]([N:145]=[C:100]([CH2:71][C@@H:86]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:4])[O:198][C:101]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:6])=[O:161])[OH:160])[C@H:133]([O:195][CH2:82][C@@H:97]2[C@@H:110]([OH:168])[C@H:127]([O:204][C:103]([CH2:70][C@@H:85]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:3])[OH:152])=[O:163])[C@@H:105]([N:144]=[C:99]([CH2:69][C@@H:84]([CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:32][CH2:26][CH2:20][CH2:14][CH2:8][CH3:2])[OH:151])[OH:159])[C@@H:134]([O:218][P:222]([OH:191])([OH:192])=[O:193])[O:201]2)[O:203][C@H:98]([CH2:83][O:197][C@:142]2([C:140](=[O:178])[OH:179])[CH2:74][C@@H:94]([O:212][C@:143]3([C:141](=[O:180])[OH:181])[CH2:73][C@@H:88]([OH:153])[C@@H:107]([OH:165])[C@@H:121]([C@@H:90]([CH2:76][OH:147])[OH:155])[O:213]3)[C@@H:125]([O:209][C@@H:138]3[C@@H:118]([OH:176])[C@@H:129]([O:211][C@@H:139]4[C@@H:119]([OH:177])[C@@H:130]([O:210][C@@H:137]5[C@H:117]([OH:175])[C@@H:112]([OH:170])[C@H:109]([OH:167])[C@@H:96]([CH2:81][O:196][C@@H:135]6[C@H:115]([OH:173])[C@@H:111]([OH:169])[C@@H:108]([OH:166])[C@@H:95]([CH2:79][OH:150])[O:200]6)[O:202]5)[C@H:132]([O:217][P:221]([OH:188])([OH:189])=[O:190])[C@@H:123]([C@@H:93]([CH2:80][O:194][C@@H:136]5[C@@H:116]([OH:174])[C@@H:113]([OH:171])[C@H:114]([OH:172])[C@@H:120]([C@H:89]([CH2:75][OH:146])[OH:154])[O:206]5)[OH:158])[O:208]4)[C@H:131]([O:216][P:220]([OH:185])([OH:186])=[O:187])[C@@H:122]([C@H:91]([CH2:77][OH:148])[OH:156])[O:207]3)[C@@H:124]([C@@H:92]([CH2:78][OH:149])[OH:157])[O:214]2)[C@H:126]1[O:215][P:219]([OH:182])([OH:183])=[O:184]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD0-936
metacycM:CPD0-936
ANYWVBWOMFKRSV-BZHVVVLMSA-D 		galactosyl-(1->6)-glucosyl-(1->3)-(heptosyl)3-Kdo2-lipid A-bisphosphate (E. coli)