| Properties | Image |
|---|
| MNX_ID | MNXM737466 |
 |
| reference | biggM:halipa |
| formula | C126H228N2O40P2 |
| global charge | -4 |
| mol weight | 2473.132 |
| InChIKey | YHHWIOQDRVEIJA-UHFFFAOYSA-J |
| InChI | InChI=1S/C126H232N2O40P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-106(137)157-95(78-71-64-57-50-39-32-25-18-11-4)85-104(135)127-111-119(162-109(140)84-94(131)77-70-63-56-49-38-31-24-17-10-3)115(144)102(160-122(111)168-170(152,153)154)92-155-121-112(128-105(136)86-96(79-72-65-58-51-40-33-26-19-12-5)158-107(138)81-74-67-60-53-42-35-28-21-14-7)120(163-110(141)87-97(80-73-66-59-52-41-34-27-20-13-6)159-108(139)83-76-69-61-54-47-44-37-30-23-16-9-2)118(167-169(149,150)151)103(161-121)93-156-125(123(145)146)89-101(114(143)117(165-125)100(134)91-130)164-126(124(147)148)88-98(132)113(142)116(166-126)99(133)90-129/h94-103,111-122,129-134,142-144H,8-93H2,1-7H3,(H,127,135)(H,128,136)(H,145,146)(H,147,148)(H2,149,150,151)(H2,152,153,154)/p-4 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(OP(=O)([O-])O)OC(COC2OC(COC3(C(=O)[O-])CC(OC4(C(=O)[O-])CC(O)C(O)C(C(O)CO)O4)C(O)C(C(O)CO)O3)C(OP(=O)([O-])O)C(OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C2NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(O)C1OC(=O)CC(O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C126H232N2O40P2/c1-8-15-22-29-36-43-45-46-48-55-62-68-75-82-106(137)157-95(78-71-64-57-50-39-32-25-18-11-4)85-104(135)127-111-119(162-109(140)84-94(131)77-70-63-56-49-38-31-24-17-10-3)115(144)102(160-122(111)168-170(152,153)154)92-155-121-112(128-105(136)86-96(79-72-65-58-51-40-33-26-19-12-5)158-107(138)81-74-67-60-53-42-35-28-21-14-7)120(163-110(141)87-97(80-73-66-59-52-41-34-27-20-13-6)159-108(139)83-76-69-61-54-47-44-37-30-23-16-9-2)118(167-169(149,150)151)103(161-121)93-156-125(123(145)146)89-101(114(143)117(165-125)100(134)91-130)164-126(124(147)148)88-98(132)113(142)116(166-126)99(133)90-129/h94-103,111-122,129-134,142-144H,8-93H2,1-7H3,(H,127,135)(H,128,136)(H,145,146)(H,147,148)(H2,149,150,151)(H2,152,153,154)/t94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,111?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121?,122?,125?,126? |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:15][CH2:22][CH2:29][CH2:36][CH2:43][CH2:45][CH2:46][CH2:48][CH2:55][CH2:62][CH2:68][CH2:75][CH2:82][C:106](=[O:137])[O:157][CH:95]([CH2:78][CH2:71][CH2:64][CH2:57][CH2:50][CH2:39][CH2:32][CH2:25][CH2:18][CH2:11][CH3:4])[CH2:85][C:104](=[N:127][CH:111]1[CH:119]([O:162][C:109]([CH2:84][CH:94]([CH2:77][CH2:70][CH2:63][CH2:56][CH2:49][CH2:38][CH2:31][CH2:24][CH2:17][CH2:10][CH3:3])[OH:131])=[O:140])[CH:115]([OH:144])[CH:102]([CH2:92][O:155][CH:121]2[CH:112]([N:128]=[C:105]([CH2:86][CH:96]([CH2:79][CH2:72][CH2:65][CH2:58][CH2:51][CH2:40][CH2:33][CH2:26][CH2:19][CH2:12][CH3:5])[O:158][C:107]([CH2:81][CH2:74][CH2:67][CH2:60][CH2:53][CH2:42][CH2:35][CH2:28][CH2:21][CH2:14][CH3:7])=[O:138])[OH:136])[CH:120]([O:163][C:110]([CH2:87][CH:97]([CH2:80][CH2:73][CH2:66][CH2:59][CH2:52][CH2:41][CH2:34][CH2:27][CH2:20][CH2:13][CH3:6])[O:159][C:108]([CH2:83][CH2:76][CH2:69][CH2:61][CH2:54][CH2:47][CH2:44][CH2:37][CH2:30][CH2:23][CH2:16][CH2:9][CH3:2])=[O:139])=[O:141])[CH:118]([O:167][P:169]([OH:149])([OH:150])=[O:151])[CH:103]([CH2:93][O:156][C:125]3([C:123](=[O:145])[OH:146])[CH2:89][CH:101]([O:164][C:126]4([C:124](=[O:147])[OH:148])[CH2:88][CH:98]([OH:132])[CH:113]([OH:142])[CH:116]([CH:99]([CH2:90][OH:129])[OH:133])[O:166]4)[CH:114]([OH:143])[CH:117]([CH:100]([CH2:91][OH:130])[OH:134])[O:165]3)[O:161]2)[O:160][CH:122]1[O:168][P:170]([OH:152])([OH:153])=[O:154])[OH:135] |
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