| Properties | Image |
|---|
| MNX_ID | MNXM1068 |
 |
| reference | chebi:53742 |
| formula | C59H102N2O32P2 |
| global charge | 0 |
| mol weight | 1413.395 |
| InChIKey | AGHYELQSGASRRD-KMFPLLRNSA-N |
| InChI | InChI=1S/C59H102N2O32P2/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)21-22-83-94(78,79)93-95(80,81)92-56-41(61-34(8)67)46(72)52(38(26-65)87-56)89-55-40(60-33(7)66)45(71)53(37(25-64)86-55)90-59-51(77)54(91-58-50(76)48(74)43(69)36(24-63)85-58)44(70)39(88-59)27-82-57-49(75)47(73)42(68)35(23-62)84-57/h13,15,17,19,32,35-59,62-65,68-77H,9-12,14,16,18,20-27H2,1-8H3,(H,60,66)(H,61,67)(H,78,79)(H,80,81)/b29-15+,30-17+,31-19+/t32?,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52-,53-,54+,55+,56-,57+,58-,59+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C59H102N2O32P2/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)21-22-83-94(78,79)93-95(80,81)92-56-41(61-34(8)67)46(72)52(38(26-65)87-56)89-55-40(60-33(7)66)45(71)53(37(25-64)86-55)90-59-51(77)54(91-58-50(76)48(74)43(69)36(24-63)85-58)44(70)39(88-59)27-82-57-49(75)47(73)42(68)35(23-62)84-57/h13,15,17,19,32,35-59,62-65,68-77H,9-12,14,16,18,20-27H2,1-8H3,(H,60,66)(H,61,67)(H,78,79)(H,80,81)/b29-15+,30-17+,31-19+/t32?,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52-,53-,54+,55+,56-,57+,58-,59+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:28]([CH3:2])=[CH:13][CH2:9][CH2:14]/[C:29]([CH3:3])=[CH:15]/[CH2:10][CH2:16]/[C:30]([CH3:4])=[CH:17]/[CH2:11][CH2:18]/[C:31]([CH3:5])=[CH:19]/[CH2:12][CH2:20][CH:32]([CH3:6])[CH2:21][CH2:22][O:83][P:94]([OH:78])(=[O:79])[O:93][P:95]([OH:80])(=[O:81])[O:92][C@@H:56]1[C@H:41]([N:61]=[C:34]([CH3:8])[OH:67])[C@@H:46]([OH:72])[C@H:52]([O:89][C@H:55]2[C@H:40]([N:60]=[C:33]([CH3:7])[OH:66])[C@@H:45]([OH:71])[C@H:53]([O:90][C@H:59]3[C@@H:51]([OH:77])[C@@H:54]([O:91][C@@H:58]4[C@@H:50]([OH:76])[C@@H:48]([OH:74])[C@H:43]([OH:69])[C@@H:36]([CH2:24][OH:63])[O:85]4)[C@H:44]([OH:70])[C@@H:39]([CH2:27][O:82][C@@H:57]4[C@@H:49]([OH:75])[C@@H:47]([OH:73])[C@H:42]([OH:68])[C@@H:35]([CH2:23][OH:62])[O:84]4)[O:88]3)[C@@H:37]([CH2:25][OH:64])[O:86]2)[C@@H:38]([CH2:26][OH:65])[O:87]1 |
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