| Properties | Image |
|---|
| MNX_ID | MNXM738729 |
 |
| reference | chebi:61522 |
| formula | C114H202N2O39P2 |
| global charge | -6 |
| mol weight | 2286.793 |
| InChIKey | YMYMIWUIGJUAIZ-LSPGFKFTSA-H |
| InChI | InChI=1S/C114H208N2O39P2/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-71-95(126)145-85(69-63-57-51-45-35-29-23-17-11-5)75-94(125)116-100-108(150-98(129)76-86(70-64-58-52-46-36-30-24-18-12-6)146-96(127)72-66-60-53-47-41-38-32-26-20-14-8-2)106(154-156(137,138)139)92(82-144-113(111(133)134)78-90(102(131)105(152-113)89(123)80-118)151-114(112(135)136)77-87(121)101(130)104(153-114)88(122)79-117)148-109(100)143-81-91-103(132)107(149-97(128)74-84(120)68-62-56-50-44-34-28-22-16-10-4)99(110(147-91)155-157(140,141)142)115-93(124)73-83(119)67-61-55-49-43-33-27-21-15-9-3/h37,39,83-92,99-110,117-123,130-132H,7-36,38,40-82H2,1-6H3,(H,115,124)(H,116,125)(H,133,134)(H,135,136)(H2,137,138,139)(H2,140,141,142)/p-6/b39-37-/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,113-,114-/m1/s1 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[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]([C@H](O)CO)O2)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C114H208N2O39P2/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-71-95(126)145-85(69-63-57-51-45-35-29-23-17-11-5)75-94(125)116-100-108(150-98(129)76-86(70-64-58-52-46-36-30-24-18-12-6)146-96(127)72-66-60-53-47-41-38-32-26-20-14-8-2)106(154-156(137,138)139)92(82-144-113(111(133)134)78-90(102(131)105(152-113)89(123)80-118)151-114(112(135)136)77-87(121)101(130)104(153-114)88(122)79-117)148-109(100)143-81-91-103(132)107(149-97(128)74-84(120)68-62-56-50-44-34-28-22-16-10-4)99(110(147-91)155-157(140,141)142)115-93(124)73-83(119)67-61-55-49-43-33-27-21-15-9-3/h37,39,83-92,99-110,117-123,130-132H,7-36,38,40-82H2,1-6H3,(H,115,124)(H,116,125)(H,133,134)(H,135,136)(H2,137,138,139)(H2,140,141,142)/b39-37-/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,113-,114-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:13][CH2:19][CH2:25][CH2:31]/[CH:37]=[CH:39]\[CH2:40][CH2:42][CH2:48][CH2:54][CH2:59][CH2:65][CH2:71][C:95](=[O:126])[O:145][C@H:85]([CH2:69][CH2:63][CH2:57][CH2:51][CH2:45][CH2:35][CH2:29][CH2:23][CH2:17][CH2:11][CH3:5])[CH2:75][C:94](=[N:116][C@@H:100]1[C@@H:108]([O:150][C:98]([CH2:76][C@@H:86]([CH2:70][CH2:64][CH2:58][CH2:52][CH2:46][CH2:36][CH2:30][CH2:24][CH2:18][CH2:12][CH3:6])[O:146][C:96]([CH2:72][CH2:66][CH2:60][CH2:53][CH2:47][CH2:41][CH2:38][CH2:32][CH2:26][CH2:20][CH2:14][CH2:8][CH3:2])=[O:127])=[O:129])[C@H:106]([O:154][P:156]([OH:137])([OH:138])=[O:139])[C@@H:92]([CH2:82][O:144][C@:113]2([C:111](=[O:133])[OH:134])[CH2:78][C@@H:90]([O:151][C@:114]3([C:112](=[O:135])[OH:136])[CH2:77][C@@H:87]([OH:121])[C@@H:101]([OH:130])[C@@H:104]([C@@H:88]([CH2:79][OH:117])[OH:122])[O:153]3)[C@@H:102]([OH:131])[C@@H:105]([C@@H:89]([CH2:80][OH:118])[OH:123])[O:152]2)[O:148][C@H:109]1[O:143][CH2:81][C@@H:91]1[C@@H:103]([OH:132])[C@H:107]([O:149][C:97]([CH2:74][C@@H:84]([CH2:68][CH2:62][CH2:56][CH2:50][CH2:44][CH2:34][CH2:28][CH2:22][CH2:16][CH2:10][CH3:4])[OH:120])=[O:128])[C@@H:99]([N:115]=[C:93]([CH2:73][C@@H:83]([CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:33][CH2:27][CH2:21][CH2:15][CH2:9][CH3:3])[OH:119])[OH:124])[C@@H:110]([O:155][P:157]([OH:140])([OH:141])=[O:142])[O:147]1)[OH:125] |
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