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

MNXM3600 is deprecated and here replaced by MNXM1371606
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371606 Image of MNXM1371606
referencemetacycM:CPD0-938
formulaC155H270N2O83P4
global charge-10
mol weight3613.692
InChIKeyDNFPUONWCBGXPM-XFQROXDVSA-D
InChIInChI=1S/C155H280N2O83P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-106(176)217-89(66-60-54-48-42-35-29-23-17-11-5)72-108(178)225-136-110(157-104(174)71-88(65-59-53-47-41-34-28-22-16-10-4)216-105(175)67-61-55-49-43-36-30-24-18-12-6)143(213-83-100-115(183)135(224-107(177)70-87(166)64-58-52-46-40-33-27-21-15-9-3)109(144(221-100)240-244(209,210)211)156-103(173)69-86(165)63-57-51-45-39-32-26-20-14-8-2)223-102(134(136)237-241(200,201)202)85-215-154(152(196)197)74-96(234-155(153(198)199)73-90(167)111(179)129(235-155)92(169)76-159)133(132(236-154)94(171)78-161)229-149-126(194)138(141(238-242(203,204)205)130(227-149)93(170)77-160)232-150-127(195)139(142(239-243(206,207)208)131(228-150)95(172)82-212-146-123(191)119(187)121(189)128(226-146)91(168)75-158)231-148-125(193)137(116(184)101(222-148)84-214-145-122(190)117(185)112(180)97(79-162)218-145)230-151-140(120(188)114(182)99(81-164)220-151)233-147-124(192)118(186)113(181)98(80-163)219-147/h86-102,109-151,158-172,179-195H,7-85H2,1-6H3,(H,156,173)(H,157,174)(H,196,197)(H,198,199)(H2,200,201,202)(H2,203,204,205)(H2,206,207,208)(H2,209,210,211)/p-10/t86-,87-,88-,89-,90-,91+,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,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-,140-,141-,142-,143-,144-,145+,146+,147-,148-,149-,150-,151-,154-,155-/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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[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/C155H280N2O83P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-106(176)217-89(66-60-54-48-42-35-29-23-17-11-5)72-108(178)225-136-110(157-104(174)71-88(65-59-53-47-41-34-28-22-16-10-4)216-105(175)67-61-55-49-43-36-30-24-18-12-6)143(213-83-100-115(183)135(224-107(177)70-87(166)64-58-52-46-40-33-27-21-15-9-3)109(144(221-100)240-244(209,210)211)156-103(173)69-86(165)63-57-51-45-39-32-26-20-14-8-2)223-102(134(136)237-241(200,201)202)85-215-154(152(196)197)74-96(234-155(153(198)199)73-90(167)111(179)129(235-155)92(169)76-159)133(132(236-154)94(171)78-161)229-149-126(194)138(141(238-242(203,204)205)130(227-149)93(170)77-160)232-150-127(195)139(142(239-243(206,207)208)131(228-150)95(172)82-212-146-123(191)119(187)121(189)128(226-146)91(168)75-158)231-148-125(193)137(116(184)101(222-148)84-214-145-122(190)117(185)112(180)97(79-162)218-145)230-151-140(120(188)114(182)99(81-164)220-151)233-147-124(192)118(186)113(181)98(80-163)219-147/h86-102,109-151,158-172,179-195H,7-85H2,1-6H3,(H,156,173)(H,157,174)(H,196,197)(H,198,199)(H2,200,201,202)(H2,203,204,205)(H2,206,207,208)(H2,209,210,211)/t86-,87-,88-,89-,90-,91+,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,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-,140-,141-,142-,143-,144-,145+,146+,147-,148-,149-,150-,151-,154-,155-/m1/s1 Image of MNXM1371606
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:106](=[O:176])[O:217][C@H:89]([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:108](=[O:178])[O:225][C@@H:136]1[C@@H:110]([N:157]=[C:104]([CH2:71][C@@H:88]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:4])[O:216][C:105]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:6])=[O:175])[OH:174])[C@H:143]([O:213][CH2:83][C@@H:100]2[C@@H:115]([OH:183])[C@H:135]([O:224][C:107]([CH2:70][C@@H:87]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:3])[OH:166])=[O:177])[C@@H:109]([N:156]=[C:103]([CH2:69][C@@H:86]([CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:32][CH2:26][CH2:20][CH2:14][CH2:8][CH3:2])[OH:165])[OH:173])[C@@H:144]([O:240][P:244]([OH:209])([OH:210])=[O:211])[O:221]2)[O:223][C@H:102]([CH2:85][O:215][C@:154]2([C:152](=[O:196])[OH:197])[CH2:74][C@@H:96]([O:234][C@:155]3([C:153](=[O:198])[OH:199])[CH2:73][C@@H:90]([OH:167])[C@@H:111]([OH:179])[C@@H:129]([C@@H:92]([CH2:76][OH:159])[OH:169])[O:235]3)[C@@H:133]([O:229][C@@H:149]3[C@@H:126]([OH:194])[C@@H:138]([O:232][C@@H:150]4[C@@H:127]([OH:195])[C@@H:139]([O:231][C@@H:148]5[C@H:125]([OH:193])[C@@H:137]([O:230][C@@H:151]6[C@H:140]([O:233][C@@H:147]7[C@H:124]([OH:192])[C@@H:118]([OH:186])[C@H:113]([OH:181])[C@@H:98]([CH2:80][OH:163])[O:219]7)[C@@H:120]([OH:188])[C@H:114]([OH:182])[C@@H:99]([CH2:81][OH:164])[O:220]6)[C@H:116]([OH:184])[C@@H:101]([CH2:84][O:214][C@@H:145]6[C@H:122]([OH:190])[C@@H:117]([OH:185])[C@@H:112]([OH:180])[C@@H:97]([CH2:79][OH:162])[O:218]6)[O:222]5)[C@H:142]([O:239][P:243]([OH:206])([OH:207])=[O:208])[C@@H:131]([C@@H:95]([CH2:82][O:212][C@@H:146]5[C@@H:123]([OH:191])[C@@H:119]([OH:187])[C@H:121]([OH:189])[C@@H:128]([C@H:91]([CH2:75][OH:158])[OH:168])[O:226]5)[OH:172])[O:228]4)[C@H:141]([O:238][P:242]([OH:203])([OH:204])=[O:205])[C@@H:130]([C@H:93]([CH2:77][OH:160])[OH:170])[O:227]3)[C@@H:132]([C@@H:94]([CH2:78][OH:161])[OH:171])[O:236]2)[C@H:134]1[O:237][P:241]([OH:200])([OH:201])=[O:202]
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:CPD0-938
metacycM:CPD0-938
DNFPUONWCBGXPM-XFQROXDVSA-D
galactosyl-(glucosyl)3-(heptosyl)3-Kdo2-lipid A-bisphosphate (E. coli)
Rb1 LPS