| Properties | Image |
|---|
| MNX_ID | MNXM1370668 |
 |
| reference | keggC:C05895 |
| formula | C104H172N14O30P2 |
| global charge | 0 |
| mol weight | 2160.536 |
| InChIKey | CXIOLGPNCLFPPI-SUNKJSOLSA-N |
| InChI | InChI=1S/C104H172N14O30P2/c1-64(2)31-21-32-65(3)33-22-34-66(4)35-23-36-67(5)37-24-38-68(6)39-25-40-69(7)41-26-42-70(8)43-27-44-71(9)45-28-46-72(10)47-29-48-73(11)49-30-50-74(12)54-56-142-149(138,139)148-150(140,141)147-104-92(116-80(18)122)96(95(84(63-120)145-104)146-103-91(115-79(17)121)94(130)93(129)83(62-119)144-103)143-78(16)100(134)112-76(14)99(133)118-81(97(106)131)52-53-85(123)117-82(101(135)113-75(13)98(132)114-77(15)102(136)137)51-19-20-55-107-87(125)58-109-89(127)60-111-90(128)61-110-88(126)59-108-86(124)57-105/h31,33,35,37,39,41,43,45,47,49,54,75-78,81-84,91-96,103-104,119-120,129-130H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-63,105H2,1-18H3,(H2,106,131)(H,107,125)(H,108,124)(H,109,127)(H,110,126)(H,111,128)(H,112,134)(H,113,135)(H,114,132)(H,115,121)(H,116,122)(H,117,123)(H,118,133)(H,136,137)(H,138,139)(H,140,141)/b65-33+,66-35+,67-37-,68-39-,69-41-,70-43-,71-45-,72-47-,73-49-,74-54-/t75-,76+,77-,78-,81-,82+,83-,84-,91-,92-,93-,94-,95-,96-,103+,104-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(N)=O)[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/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]1O |
MNX internals
| InChI (mnx) | InChI=1/C104H172N14O30P2/c1-64(2)31-21-32-65(3)33-22-34-66(4)35-23-36-67(5)37-24-38-68(6)39-25-40-69(7)41-26-42-70(8)43-27-44-71(9)45-28-46-72(10)47-29-48-73(11)49-30-50-74(12)54-56-142-149(138,139)148-150(140,141)147-104-92(116-80(18)122)96(95(84(63-120)145-104)146-103-91(115-79(17)121)94(130)93(129)83(62-119)144-103)143-78(16)100(134)112-76(14)99(133)118-81(97(106)131)52-53-85(123)117-82(101(135)113-75(13)98(132)114-77(15)102(136)137)51-19-20-55-107-87(125)58-109-89(127)60-111-90(128)61-110-88(126)59-108-86(124)57-105/h31,33,35,37,39,41,43,45,47,49,54,75-78,81-84,91-96,103-104,119-120,129-130H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-63,105H2,1-18H3,(H2,106,131)(H,107,125)(H,108,124)(H,109,127)(H,110,126)(H,111,128)(H,112,134)(H,113,135)(H,114,132)(H,115,121)(H,116,122)(H,117,123)(H,118,133)(H,136,137)(H,138,139)(H,140,141)/b65-33+,66-35+,67-37-,68-39-,69-41-,70-43-,71-45-,72-47-,73-49-,74-54-/t75-,76+,77-,78-,81-,82+,83-,84-,91-,92-,93-,94-,95-,96-,103+,104-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:64]([CH3:2])=[CH:31][CH2:21][CH2:32]/[C:65]([CH3:3])=[CH:33]/[CH2:22][CH2:34]/[C:66]([CH3:4])=[CH:35]/[CH2:23][CH2:36]/[C:67]([CH3:5])=[CH:37]\[CH2:24][CH2:38]/[C:68]([CH3:6])=[CH:39]\[CH2:25][CH2:40]/[C:69]([CH3:7])=[CH:41]\[CH2:26][CH2:42]/[C:70]([CH3:8])=[CH:43]\[CH2:27][CH2:44]/[C:71]([CH3:9])=[CH:45]\[CH2:28][CH2:46]/[C:72]([CH3:10])=[CH:47]\[CH2:29][CH2:48]/[C:73]([CH3:11])=[CH:49]\[CH2:30][CH2:50]/[C:74]([CH3:12])=[CH:54]\[CH2:56][O:142][P:149]([OH:138])(=[O:139])[O:148][P:150]([OH:140])(=[O:141])[O:147][C@@H:104]1[C@H:92]([N:116]=[C:80]([CH3:18])[OH:122])[C@@H:96]([O:143][C@H:78]([CH3:16])[C:100](=[N:112][C@@H:76]([CH3:14])[C:99](=[N:118][C@H:81]([CH2:52][CH2:53][C:85](=[N:117][C@@H:82]([CH2:51][CH2:19][CH2:20][CH2:55][N:107]=[C:87]([CH2:58][N:109]=[C:89]([CH2:60][N:111]=[C:90]([CH2:61][N:110]=[C:88]([CH2:59][N:108]=[C:86]([CH2:57][NH2:105])[OH:124])[OH:126])[OH:128])[OH:127])[OH:125])[C:101](=[N:113][C@H:75]([CH3:13])[C:98](=[N:114][C@H:77]([CH3:15])[C:102](=[O:136])[OH:137])[OH:132])[OH:135])[OH:123])[C:97](=[NH:106])[OH:131])[OH:133])[OH:134])[C@H:95]([O:146][C@H:103]2[C@H:91]([N:115]=[C:79]([CH3:17])[OH:121])[C@@H:94]([OH:130])[C@H:93]([OH:129])[C@@H:83]([CH2:62][OH:119])[O:144]2)[C@@H:84]([CH2:63][OH:120])[O:145]1 |
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