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(O16 antigen)x4 undecaprenyl diphosphate

PropertiesImage
MNX_IDMNXM1137685 Image of MNXM1137685
referencebiggM:o16a4und
formulaC191H310N4O107P2
global charge-2
mol weight4436.45
InChIKeyRNMNOQBZUYAUDM-UHFFFAOYSA-L
InChIInChI=1S/C191H312N4O107P2/c1-73(2)35-25-36-74(3)37-26-38-75(4)39-27-40-76(5)41-28-42-77(6)43-29-44-78(7)45-30-46-79(8)47-31-48-80(9)49-32-50-81(10)51-33-52-82(11)53-34-54-83(12)55-56-265-303(253,254)302-304(255,256)301-175-115(195-91(20)207)160(131(231)111(281-175)72-260-179-144(244)135(235)123(223)103(64-203)277-179)293-191-171(273-95(24)211)164(119(219)87(16)269-191)297-184-148(248)139(239)127(227)107(285-184)68-264-187-167(152(252)156(289-187)99(215)60-199)300-174-114(194-90(19)206)159(130(230)110(280-174)71-259-178-143(243)134(234)122(222)102(63-202)276-178)292-190-170(272-94(23)210)163(118(218)86(15)268-190)296-183-147(247)138(238)126(226)106(284-183)67-263-186-166(151(251)155(288-186)98(214)59-198)299-173-113(193-89(18)205)158(129(229)109(279-173)70-258-177-142(242)133(233)121(221)101(62-201)275-177)291-189-169(271-93(22)209)162(117(217)85(14)267-189)295-182-146(246)137(237)125(225)105(283-182)66-262-185-165(150(250)154(287-185)97(213)58-197)298-172-112(192-88(17)204)157(128(228)108(278-172)69-257-176-141(241)132(232)120(220)100(61-200)274-176)290-188-168(270-92(21)208)161(116(216)84(13)266-188)294-181-145(245)136(236)124(224)104(282-181)65-261-180-149(249)140(240)153(286-180)96(212)57-196/h35,37,39,41,43,45,47,49,51,53,55,84-87,96-191,196-203,212-252H,25-34,36,38,40,42,44,46,48,50,52,54,56-72H2,1-24H3,(H,192,204)(H,193,205)(H,194,206)(H,195,207)(H,253,254)(H,255,256)/p-2
SMILESCC(=O)NC1C(OC2C(OCC3OC(OC4C(O)C(C)OC(OC5C(O)C(COC6OC(CO)C(O)C(O)C6O)OC(OC6C(OCC7OC(OC8C(O)C(C)OC(OC9C(O)C(COC%10OC(CO)C(O)C(O)C%10O)OC(OC%10C(OCC%11OC(OC%12C(O)C(C)OC(OC%13C(O)C(COC%14OC(CO)C(O)C(O)C%14O)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C%13NC(C)=O)C%12OC(C)=O)C(O)C(O)C%11O)OC(C(O)CO)C%10O)C9NC(C)=O)C8OC(C)=O)C(O)C(O)C7O)OC(C(O)CO)C6O)C5NC(C)=O)C4OC(C)=O)C(O)C(O)C3O)OC(C(O)CO)C2O)OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(OC2OC(COC3OC(C(O)CO)C(O)C3O)C(O)C(O)C2O)C1OC(C)=O
MNX internals
InChI (mnx)InChI=1/C191H312N4O107P2/c1-73(2)35-25-36-74(3)37-26-38-75(4)39-27-40-76(5)41-28-42-77(6)43-29-44-78(7)45-30-46-79(8)47-31-48-80(9)49-32-50-81(10)51-33-52-82(11)53-34-54-83(12)55-56-265-303(253,254)302-304(255,256)301-175-115(195-91(20)207)160(131(231)111(281-175)72-260-179-144(244)135(235)123(223)103(64-203)277-179)293-191-171(273-95(24)211)164(119(219)87(16)269-191)297-184-148(248)139(239)127(227)107(285-184)68-264-187-167(152(252)156(289-187)99(215)60-199)300-174-114(194-90(19)206)159(130(230)110(280-174)71-259-178-143(243)134(234)122(222)102(63-202)276-178)292-190-170(272-94(23)210)163(118(218)86(15)268-190)296-183-147(247)138(238)126(226)106(284-183)67-263-186-166(151(251)155(288-186)98(214)59-198)299-173-113(193-89(18)205)158(129(229)109(279-173)70-258-177-142(242)133(233)121(221)101(62-201)275-177)291-189-169(271-93(22)209)162(117(217)85(14)267-189)295-182-146(246)137(237)125(225)105(283-182)66-262-185-165(150(250)154(287-185)97(213)58-197)298-172-112(192-88(17)204)157(128(228)108(278-172)69-257-176-141(241)132(232)120(220)100(61-200)274-176)290-188-168(270-92(21)208)161(116(216)84(13)266-188)294-181-145(245)136(236)124(224)104(282-181)65-261-180-149(249)140(240)153(286-180)96(212)57-196/h35,37,39,41,43,45,47,49,51,53,55,84-87,96-191,196-203,212-252H,25-34,36,38,40,42,44,46,48,50,52,54,56-72H2,1-24H3,(H,192,204)(H,193,205)(H,194,206)(H,195,207)(H,253,254)(H,255,256)/b74-37?,75-39?,76-41?,77-43?,78-45?,79-47?,80-49?,81-51?,82-53?,83-55?/t84?,85?,86?,87?,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?,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?,183?,184?,185?,186?,187?,188?,189?,190?,191? Image of MNXM1137685
SMILES (mnx)[CH3:1][C:73]([CH3:2])=[CH:35][CH2:25][CH2:36][C:74]([CH3:3])=[CH:37][CH2:26][CH2:38][C:75]([CH3:4])=[CH:39][CH2:27][CH2:40][C:76]([CH3:5])=[CH:41][CH2:28][CH2:42][C:77]([CH3:6])=[CH:43][CH2:29][CH2:44][C:78]([CH3:7])=[CH:45][CH2:30][CH2:46][C:79]([CH3:8])=[CH:47][CH2:31][CH2:48][C:80]([CH3:9])=[CH:49][CH2:32][CH2:50][C:81]([CH3:10])=[CH:51][CH2:33][CH2:52][C:82]([CH3:11])=[CH:53][CH2:34][CH2:54][C:83]([CH3:12])=[CH:55][CH2:56][O:265][P:303]([OH:253])(=[O:254])[O:302][P:304]([OH:255])(=[O:256])[O:301][CH:175]1[CH:115]([N:195]=[C:91]([CH3:20])[OH:207])[CH:160]([O:293][CH:191]2[CH:171]([O:273][C:95]([CH3:24])=[O:211])[CH:164]([O:297][CH:184]3[CH:148]([OH:248])[CH:139]([OH:239])[CH:127]([OH:227])[CH:107]([CH2:68][O:264][CH:187]4[CH:167]([O:300][CH:174]5[CH:114]([N:194]=[C:90]([CH3:19])[OH:206])[CH:159]([O:292][CH:190]6[CH:170]([O:272][C:94]([CH3:23])=[O:210])[CH:163]([O:296][CH:183]7[CH:147]([OH:247])[CH:138]([OH:238])[CH:126]([OH:226])[CH:106]([CH2:67][O:263][CH:186]8[CH:166]([O:299][CH:173]9[CH:113]([N:193]=[C:89]([CH3:18])[OH:205])[CH:158]([O:291][CH:189]%10[CH:169]([O:271][C:93]([CH3:22])=[O:209])[CH:162]([O:295][CH:182]%11[CH:146]([OH:246])[CH:137]([OH:237])[CH:125]([OH:225])[CH:105]([CH2:66][O:262][CH:185]%12[CH:165]([O:298][CH:172]%13[CH:112]([N:192]=[C:88]([CH3:17])[OH:204])[CH:157]([O:290][CH:188]%14[CH:168]([O:270][C:92]([CH3:21])=[O:208])[CH:161]([O:294][CH:181]%15[CH:145]([OH:245])[CH:136]([OH:236])[CH:124]([OH:224])[CH:104]([CH2:65][O:261][CH:180]%16[CH:149]([OH:249])[CH:140]([OH:240])[CH:153]([CH:96]([CH2:57][OH:196])[OH:212])[O:286]%16)[O:282]%15)[CH:116]([OH:216])[CH:84]([CH3:13])[O:266]%14)[CH:128]([OH:228])[CH:108]([CH2:69][O:257][CH:176]%14[CH:141]([OH:241])[CH:132]([OH:232])[CH:120]([OH:220])[CH:100]([CH2:61][OH:200])[O:274]%14)[O:278]%13)[CH:150]([OH:250])[CH:154]([CH:97]([CH2:58][OH:197])[OH:213])[O:287]%12)[O:283]%11)[CH:117]([OH:217])[CH:85]([CH3:14])[O:267]%10)[CH:129]([OH:229])[CH:109]([CH2:70][O:258][CH:177]%10[CH:142]([OH:242])[CH:133]([OH:233])[CH:121]([OH:221])[CH:101]([CH2:62][OH:201])[O:275]%10)[O:279]9)[CH:151]([OH:251])[CH:155]([CH:98]([CH2:59][OH:198])[OH:214])[O:288]8)[O:284]7)[CH:118]([OH:218])[CH:86]([CH3:15])[O:268]6)[CH:130]([OH:230])[CH:110]([CH2:71][O:259][CH:178]6[CH:143]([OH:243])[CH:134]([OH:234])[CH:122]([OH:222])[CH:102]([CH2:63][OH:202])[O:276]6)[O:280]5)[CH:152]([OH:252])[CH:156]([CH:99]([CH2:60][OH:199])[OH:215])[O:289]4)[O:285]3)[CH:119]([OH:219])[CH:87]([CH3:16])[O:269]2)[CH:131]([OH:231])[CH:111]([CH2:72][O:260][CH:179]2[CH:144]([OH:244])[CH:135]([OH:235])[CH:123]([OH:223])[CH:103]([CH2:64][OH:203])[O:277]2)[O:281]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:o16a4und
biggM:o16a4und
RNMNOQBZUYAUDM-UHFFFAOYSA-L
(O16 antigen)x4 undecaprenyl diphosphate

biggM:M_o16a4und
secondary/obsolete/fantasy identifier