Search MNXref
 Feedback

lipid A-core 1-diphosphate

MNXM106229 is deprecated and here replaced by MNXM1370945
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370945 Image of MNXM1370945
referencemetacycM:CPD0-1151
formulaC162H282N2O92P5
global charge-11
mol weight3884.83
InChIKeyIZUALNRLWYNVNR-IOTXTWAESA-C
InChIInChI=1S/C162H293N2O92P5/c1-7-13-19-25-31-37-38-44-50-56-62-68-108(184)231-90(66-60-54-48-42-35-29-23-17-11-5)72-110(186)239-142-112(164-106(182)71-89(65-59-53-47-41-34-28-22-16-10-4)230-107(183)67-61-55-49-43-36-30-24-18-12-6)149(226-84-102-117(191)141(238-109(185)70-88(173)64-58-52-46-40-33-27-21-15-9-3)111(150(234-102)255-261(223,224)256-260(220,221)222)163-105(181)69-87(172)63-57-51-45-39-32-26-20-14-8-2)237-104(140(142)252-257(211,212)213)86-229-161(159(207)208)74-98(249-162(160(209)210)73-91(174)113(187)135(250-162)94(177)77-167)139(138(251-161)96(179)79-169)244-156-131(205)144(147(253-258(214,215)216)136(242-156)95(178)78-168)247-157-132(206)145(148(254-259(217,218)219)137(243-157)97(180)82-225-152-127(201)121(195)124(198)133(240-152)92(175)75-165)246-155-130(204)143(118(192)103(236-155)85-227-151-126(200)119(193)114(188)99(80-170)232-151)245-158-146(123(197)115(189)100(81-171)233-158)248-154-129(203)120(194)116(190)101(235-154)83-228-153-128(202)122(196)125(199)134(241-153)93(176)76-166/h87-104,111-158,165-180,187-206H,7-86H2,1-6H3,(H,163,181)(H,164,182)(H,207,208)(H,209,210)(H,223,224)(H2,211,212,213)(H2,214,215,216)(H2,217,218,219)(H2,220,221,222)/p-11/t87-,88-,89-,90-,91-,92+,93+,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,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+,152+,153+,154-,155-,156-,157-,158-,161-,162-/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-])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](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/C162H293N2O92P5/c1-7-13-19-25-31-37-38-44-50-56-62-68-108(184)231-90(66-60-54-48-42-35-29-23-17-11-5)72-110(186)239-142-112(164-106(182)71-89(65-59-53-47-41-34-28-22-16-10-4)230-107(183)67-61-55-49-43-36-30-24-18-12-6)149(226-84-102-117(191)141(238-109(185)70-88(173)64-58-52-46-40-33-27-21-15-9-3)111(150(234-102)255-261(223,224)256-260(220,221)222)163-105(181)69-87(172)63-57-51-45-39-32-26-20-14-8-2)237-104(140(142)252-257(211,212)213)86-229-161(159(207)208)74-98(249-162(160(209)210)73-91(174)113(187)135(250-162)94(177)77-167)139(138(251-161)96(179)79-169)244-156-131(205)144(147(253-258(214,215)216)136(242-156)95(178)78-168)247-157-132(206)145(148(254-259(217,218)219)137(243-157)97(180)82-225-152-127(201)121(195)124(198)133(240-152)92(175)75-165)246-155-130(204)143(118(192)103(236-155)85-227-151-126(200)119(193)114(188)99(80-170)232-151)245-158-146(123(197)115(189)100(81-171)233-158)248-154-129(203)120(194)116(190)101(235-154)83-228-153-128(202)122(196)125(199)134(241-153)93(176)76-166/h87-104,111-158,165-180,187-206H,7-86H2,1-6H3,(H,163,181)(H,164,182)(H,207,208)(H,209,210)(H,223,224)(H2,211,212,213)(H2,214,215,216)(H2,217,218,219)(H2,220,221,222)/t87-,88-,89-,90-,91-,92+,93+,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,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+,152+,153+,154-,155-,156-,157-,158-,161-,162-/m1/s1 Image of MNXM1370945
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:108](=[O:184])[O:231][C@H:90]([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:110](=[O:186])[O:239][C@@H:142]1[C@@H:112]([N:164]=[C:106]([CH2:71][C@@H:89]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:4])[O:230][C:107]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:6])=[O:183])[OH:182])[C@H:149]([O:226][CH2:84][C@@H:102]2[C@@H:117]([OH:191])[C@H:141]([O:238][C:109]([CH2:70][C@@H:88]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:3])[OH:173])=[O:185])[C@@H:111]([N:163]=[C:105]([CH2:69][C@@H:87]([CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:32][CH2:26][CH2:20][CH2:14][CH2:8][CH3:2])[OH:172])[OH:181])[C@@H:150]([O:255][P:261]([OH:223])(=[O:224])[O:256][P:260]([OH:220])([OH:221])=[O:222])[O:234]2)[O:237][C@H:104]([CH2:86][O:229][C@:161]2([C:159](=[O:207])[OH:208])[CH2:74][C@@H:98]([O:249][C@:162]3([C:160](=[O:209])[OH:210])[CH2:73][C@@H:91]([OH:174])[C@@H:113]([OH:187])[C@@H:135]([C@@H:94]([CH2:77][OH:167])[OH:177])[O:250]3)[C@@H:139]([O:244][C@@H:156]3[C@@H:131]([OH:205])[C@@H:144]([O:247][C@@H:157]4[C@@H:132]([OH:206])[C@@H:145]([O:246][C@@H:155]5[C@H:130]([OH:204])[C@@H:143]([O:245][C@@H:158]6[C@H:146]([O:248][C@@H:154]7[C@H:129]([OH:203])[C@@H:120]([OH:194])[C@H:116]([OH:190])[C@@H:101]([CH2:83][O:228][C@@H:153]8[C@@H:128]([OH:202])[C@@H:122]([OH:196])[C@H:125]([OH:199])[C@@H:134]([C@H:93]([CH2:76][OH:166])[OH:176])[O:241]8)[O:235]7)[C@@H:123]([OH:197])[C@H:115]([OH:189])[C@@H:100]([CH2:81][OH:171])[O:233]6)[C@H:118]([OH:192])[C@@H:103]([CH2:85][O:227][C@@H:151]6[C@H:126]([OH:200])[C@@H:119]([OH:193])[C@@H:114]([OH:188])[C@@H:99]([CH2:80][OH:170])[O:232]6)[O:236]5)[C@H:148]([O:254][P:259]([OH:217])([OH:218])=[O:219])[C@@H:137]([C@@H:97]([CH2:82][O:225][C@@H:152]5[C@@H:127]([OH:201])[C@@H:121]([OH:195])[C@H:124]([OH:198])[C@@H:133]([C@H:92]([CH2:75][OH:165])[OH:175])[O:240]5)[OH:180])[O:243]4)[C@H:147]([O:253][P:258]([OH:214])([OH:215])=[O:216])[C@@H:136]([C@H:95]([CH2:78][OH:168])[OH:178])[O:242]3)[C@@H:138]([C@@H:96]([CH2:79][OH:169])[OH:179])[O:251]2)[C@H:140]1[O:252][P:257]([OH:211])([OH:212])=[O:213]
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:CPD0-1151
metacycM:CPD0-1151
IZUALNRLWYNVNR-IOTXTWAESA-C 		lipid A-core 1-diphosphate