| Properties | Image |
|---|
| MNX_ID | MNXM10387 |
 |
| reference | metacycM:CPD1G-772 |
| formula | C98H189O17P |
| global charge | -2 |
| mol weight | 1670.547 |
| InChIKey | XLNAXSPACRJUAD-BZZONOHYSA-L |
| InChI | InChI=1S/C98H191O17P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-39-45-51-57-63-69-75-84(96(106)111-79-88-90(100)92(102)94(104)97(113-88)115-98-95(105)93(103)91(101)89(114-98)80-112-116(107,108)109)86(99)76-70-64-58-52-46-40-35-38-44-50-56-62-68-74-83-78-85(83)81(3)72-66-60-54-48-42-37-34-41-47-53-59-65-71-77-87(110-5)82(4)73-67-61-55-49-43-36-32-23-21-19-17-15-13-11-9-7-2/h81-95,97-105H,6-80H2,1-5H3,(H2,107,108,109)/p-2/t81?,82?,83?,84?,85?,86-,87?,88-,89-,90-,91-,92+,93+,94-,95-,97-,98-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C98H191O17P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-39-45-51-57-63-69-75-84(96(106)111-79-88-90(100)92(102)94(104)97(113-88)115-98-95(105)93(103)91(101)89(114-98)80-112-116(107,108)109)86(99)76-70-64-58-52-46-40-35-38-44-50-56-62-68-74-83-78-85(83)81(3)72-66-60-54-48-42-37-34-41-47-53-59-65-71-77-87(110-5)82(4)73-67-61-55-49-43-36-32-23-21-19-17-15-13-11-9-7-2/h81-95,97-105H,6-80H2,1-5H3,(H2,107,108,109)/t81?,82?,83?,84?,85?,86-,87?,88-,89-,90-,91-,92+,93+,94-,95-,97-,98-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:39][CH2:45][CH2:51][CH2:57][CH2:63][CH2:69][CH2:75][CH:84]([C@@H:86]([CH2:76][CH2:70][CH2:64][CH2:58][CH2:52][CH2:46][CH2:40][CH2:35][CH2:38][CH2:44][CH2:50][CH2:56][CH2:62][CH2:68][CH2:74][CH:83]1[CH2:78][CH:85]1[CH:81]([CH3:3])[CH2:72][CH2:66][CH2:60][CH2:54][CH2:48][CH2:42][CH2:37][CH2:34][CH2:41][CH2:47][CH2:53][CH2:59][CH2:65][CH2:71][CH2:77][CH:87]([CH:82]([CH3:4])[CH2:73][CH2:67][CH2:61][CH2:55][CH2:49][CH2:43][CH2:36][CH2:32][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[O:110][CH3:5])[OH:99])[C:96](=[O:106])[O:111][CH2:79][C@@H:88]1[C@@H:90]([OH:100])[C@H:92]([OH:102])[C@@H:94]([OH:104])[C@@H:97]([O:115][C@@H:98]2[C@H:95]([OH:105])[C@@H:93]([OH:103])[C@H:91]([OH:101])[C@@H:89]([CH2:80][O:112][P:116]([OH:107])([OH:108])=[O:109])[O:114]2)[O:113]1 |
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