Q105104001

group of stereoisomers with the chemical formula C₅₉H₁₀₂N₁₂O₁₇

Wikidata entity: Q105104001

C₅₉H₁₀₂N₁₂O₁₇ (P274)

Quantities

P2067mass1250.748589804

P233 canonical SMILES String CC=C1NC(=O)C(C(C)C)NC(=O)C(O)C(C(C)CCCCCCCCCCC(O)CCC)NC(=O)C2CCCN2C(=O)C(CC(N)=O)N(C)C(=O)C(C(C)OC)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC1=O ???
P703 found in taxon ... Q133353 (Anabaena) Anabaena
P703 found in taxon ... Q15946660 (Romanoa) Romanoa
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String CC=C1NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCCC(O)CCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)OC)NC(=O)[C@@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC1=O ???
P279 subclass of ... Q109559114 (biogenic cyclopeptide) biogenic cyclopeptide
External Ids
P234InChIInChI=1S/C59H102N12O17/c1-12-23-37(74)25-21-19-17-15-14-16-18-20-24-32(5)45-49(77)57(85)65-44(31(3)4)54(82)63-38(13-2)51(79)67-47(35(8)73)56(84)68-46(34(7)72)55(83)64-39(27-28-42(60)75)52(80)62-33(6)50(78)69-48(36(9)88-11)59(87)70(10)41(30-43(61)76)58(86)71-29-22-26-40(71)53(81)66-45/h13,31-37,39-41,44-49,72-74,77H,12,14-30H2,1-11H3,(H2,60,75)(H2,61,76)(H,62,80)(H,63,82)(H,64,83)(H,65,85)(H,66,81)(H,67,79)(H,68,84)(H,69,78)/t32-,33+,34+,35+,36+,37?,39-,40-,41-,44-,45+,46-,47-,48-,49+/m0/s1
P235InChIKeyDJGAMFBGLLUORT-AVBUBWQBSA-N
P662PubChem CID163014829

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