| Properties | Image |
|---|
| MNX_ID | MNXM737974 |
 |
| reference | biggM:gagicolipa |
| formula | C157H275N2O84P4 |
| global charge | -7 |
| mol weight | 3658.753 |
| InChIKey | XCYFJKYUDKZCQY-UHFFFAOYSA-G |
| InChI | InChI=1S/C157H282N2O84P4/c1-8-14-20-26-32-38-39-45-51-57-63-69-108(178)221-91(67-61-55-49-43-36-30-24-18-12-5)73-110(180)227-139-112(159-106(176)72-90(66-60-54-48-42-35-29-23-17-11-4)220-107(177)68-62-56-50-44-37-31-25-19-13-6)144(216-85-103-117(185)138(226-109(179)71-89(167)65-59-53-47-41-34-28-22-16-10-3)111(145(223-103)243-247(212,213)214)158-105(175)70-88(166)64-58-52-46-40-33-27-21-15-9-2)225-104(137(139)240-244(203,204)205)86-218-155(152(197)198)75-99(236-157(154(201)202)76-100(235-156(153(199)200)74-92(168)114(182)130(237-156)94(170)78-161)136(134(239-157)97(173)81-164)231-148-125(193)118(186)113(181)87(7)219-148)135(133(238-155)96(172)80-163)232-150-127(195)140(142(241-245(206,207)208)131(229-150)95(171)79-162)234-151-128(196)141(233-149-126(194)120(188)116(184)102(224-149)84-217-146-123(191)119(187)115(183)101(82-165)222-146)143(242-246(209,210)211)132(230-151)98(174)83-215-147-124(192)121(189)122(190)129(228-147)93(169)77-160/h87-104,111-151,160-174,181-196H,8-86H2,1-7H3,(H,158,175)(H,159,176)(H,197,198)(H,199,200)(H,201,202)(H2,203,204,205)(H2,206,207,208)(H2,209,210,211)(H2,212,213,214)/p-7 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(OP(=O)([O-])O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2O)OC(COC2(C(=O)[O-])CC(OC3(C(=O)[O-])CC(OC4(C(=O)[O-])CC(O)C(O)C(C(O)CO)O4)C(OC4OC(C)C(O)C(O)C4O)C(C(O)CO)O3)C(OC3OC(C(O)CO)C(OP(=O)([O-])O)C(OC4OC(C(O)COC5OC(C(O)CO)C(O)C(O)C5O)C(OP(=O)([O-])O)C(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4O)C3O)C(C(O)CO)O2)C1OP(=O)([O-])O |
MNX internals
| InChI (mnx) | InChI=1/C157H282N2O84P4/c1-8-14-20-26-32-38-39-45-51-57-63-69-108(178)221-91(67-61-55-49-43-36-30-24-18-12-5)73-110(180)227-139-112(159-106(176)72-90(66-60-54-48-42-35-29-23-17-11-4)220-107(177)68-62-56-50-44-37-31-25-19-13-6)144(216-85-103-117(185)138(226-109(179)71-89(167)65-59-53-47-41-34-28-22-16-10-3)111(145(223-103)243-247(212,213)214)158-105(175)70-88(166)64-58-52-46-40-33-27-21-15-9-2)225-104(137(139)240-244(203,204)205)86-218-155(152(197)198)75-99(236-157(154(201)202)76-100(235-156(153(199)200)74-92(168)114(182)130(237-156)94(170)78-161)136(134(239-157)97(173)81-164)231-148-125(193)118(186)113(181)87(7)219-148)135(133(238-155)96(172)80-163)232-150-127(195)140(142(241-245(206,207)208)131(229-150)95(171)79-162)234-151-128(196)141(233-149-126(194)120(188)116(184)102(224-149)84-217-146-123(191)119(187)115(183)101(82-165)222-146)143(242-246(209,210)211)132(230-151)98(174)83-215-147-124(192)121(189)122(190)129(228-147)93(169)77-160/h87-104,111-151,160-174,181-196H,8-86H2,1-7H3,(H,158,175)(H,159,176)(H,197,198)(H,199,200)(H,201,202)(H2,203,204,205)(H2,206,207,208)(H2,209,210,211)(H2,212,213,214)/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?,155?,156?,157? |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:14][CH2:20][CH2:26][CH2:32][CH2:38][CH2:39][CH2:45][CH2:51][CH2:57][CH2:63][CH2:69][C:108](=[O:178])[O:221][CH:91]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:5])[CH2:73][C:110](=[O:180])[O:227][CH:139]1[CH:112]([N:159]=[C:106]([CH2:72][CH:90]([CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:35][CH2:29][CH2:23][CH2:17][CH2:11][CH3:4])[O:220][C:107]([CH2:68][CH2:62][CH2:56][CH2:50][CH2:44][CH2:37][CH2:31][CH2:25][CH2:19][CH2:13][CH3:6])=[O:177])[OH:176])[CH:144]([O:216][CH2:85][CH:103]2[CH:117]([OH:185])[CH:138]([O:226][C:109]([CH2:71][CH:89]([CH2:65][CH2:59][CH2:53][CH2:47][CH2:41][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:3])[OH:167])=[O:179])[CH:111]([N:158]=[C:105]([CH2:70][CH:88]([CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:2])[OH:166])[OH:175])[CH:145]([O:243][P:247]([OH:212])([OH:213])=[O:214])[O:223]2)[O:225][CH:104]([CH2:86][O:218][C:155]2([C:152](=[O:197])[OH:198])[CH2:75][CH:99]([O:236][C:157]3([C:154](=[O:201])[OH:202])[CH2:76][CH:100]([O:235][C:156]4([C:153](=[O:199])[OH:200])[CH2:74][CH:92]([OH:168])[CH:114]([OH:182])[CH:130]([CH:94]([CH2:78][OH:161])[OH:170])[O:237]4)[CH:136]([O:231][CH:148]4[CH:125]([OH:193])[CH:118]([OH:186])[CH:113]([OH:181])[CH:87]([CH3:7])[O:219]4)[CH:134]([CH:97]([CH2:81][OH:164])[OH:173])[O:239]3)[CH:135]([O:232][CH:150]3[CH:127]([OH:195])[CH:140]([O:234][CH:151]4[CH:128]([OH:196])[CH:141]([O:233][CH:149]5[CH:126]([OH:194])[CH:120]([OH:188])[CH:116]([OH:184])[CH:102]([CH2:84][O:217][CH:146]6[CH:123]([OH:191])[CH:119]([OH:187])[CH:115]([OH:183])[CH:101]([CH2:82][OH:165])[O:222]6)[O:224]5)[CH:143]([O:242][P:246]([OH:209])([OH:210])=[O:211])[CH:132]([CH:98]([CH2:83][O:215][CH:147]5[CH:124]([OH:192])[CH:121]([OH:189])[CH:122]([OH:190])[CH:129]([CH:93]([CH2:77][OH:160])[OH:169])[O:228]5)[OH:174])[O:230]4)[CH:142]([O:241][P:245]([OH:206])([OH:207])=[O:208])[CH:131]([CH:95]([CH2:79][OH:162])[OH:171])[O:229]3)[CH:133]([CH:96]([CH2:80][OH:163])[OH:172])[O:238]2)[CH:137]1[O:240][P:244]([OH:203])([OH:204])=[O:205] |
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