| Properties | Image |
|---|
| MNX_ID | MNXM1104103 |
 |
| reference | biggM:unagamuf |
| formula | C79H126N3O22P2 |
| global charge | -3 |
| mol weight | 1531.824 |
| InChIKey | PSONHUYFSWYIME-UHFFFAOYSA-K |
| InChI | InChI=1S/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/p-3 |
| SMILES | CC(=O)NC1C(C)OC(OC2C(C(=O)[O-])OC(OC3C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(NC(C)=O)C3O)C(NC(C)=O)C2O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29?,52-31?,53-33?,54-35?,55-37?,56-39?,57-41?,58-43?,59-45?,60-47?/t61?,65?,66?,67?,68?,69?,70?,71?,72?,73?,74?,75?,77?,78?,79? |
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| SMILES (mnx) | [CH3:1][C:50]([CH3:2])=[CH:27][CH2:17][CH2:28][C:51]([CH3:3])=[CH:29][CH2:18][CH2:30][C:52]([CH3:4])=[CH:31][CH2:19][CH2:32][C:53]([CH3:5])=[CH:33][CH2:20][CH2:34][C:54]([CH3:6])=[CH:35][CH2:21][CH2:36][C:55]([CH3:7])=[CH:37][CH2:22][CH2:38][C:56]([CH3:8])=[CH:39][CH2:23][CH2:40][C:57]([CH3:9])=[CH:41][CH2:24][CH2:42][C:58]([CH3:10])=[CH:43][CH2:25][CH2:44][C:59]([CH3:11])=[CH:45][CH2:26][CH2:46][C:60]([CH3:12])=[CH:47][CH2:48][O:97][P:105]([OH:93])(=[O:94])[O:104][P:106]([OH:95])(=[O:96])[O:103][CH:78]1[CH:68]([N:82]=[C:64]([CH3:16])[OH:86])[CH:70]([OH:88])[CH:73]([O:100][CH:77]2[CH:67]([N:81]=[C:63]([CH3:15])[OH:85])[CH:71]([OH:89])[CH:74]([O:101][CH:79]3[CH:72]([OH:90])[CH:69]([OH:87])[CH:66]([N:80]=[C:62]([CH3:14])[OH:84])[CH:61]([CH3:13])[O:98]3)[CH:75]([C:76](=[O:91])[OH:92])[O:102]2)[CH:65]([CH2:49][OH:83])[O:99]1 |
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