Anacyclamide A8P

chemical compound

Wikidata entity: Q105193097

C₄₉H₆₄N₁₄O₉ (P274)

Quantities

P2067mass992.498069628

P233 canonical SMILES String CC(C)=CCn1cc(CC2NC(=O)C3CCCN3C(=O)C(CCC(N)=O)NC(=O)C(Cc3cnc[nH]3)NC(=O)C3CCCN3C(=O)C(C)NC(=O)C(C)NC(=O)C(Cc3cnc[nH]3)NC2=O)c2ccccc21 ???
P703 found in taxon ... Q133353 (Anabaena) Anabaena
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC(C)=CCn1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)c2ccccc21 ???
P279 subclass of ... Q109559114 (biogenic cyclopeptide) biogenic cyclopeptide
External Ids
P683ChEBI ID221767
P3117DSSTox substance IDDTXSID401047316
P234InChIInChI=1S/C49H64N14O9/c1-27(2)15-18-61-24-30(33-9-5-6-10-38(33)61)19-35-44(67)58-36(20-31-22-51-25-53-31)43(66)55-28(3)42(65)56-29(4)48(71)62-16-7-11-39(62)46(69)60-37(21-32-23-52-26-54-32)45(68)57-34(13-14-41(50)64)49(72)63-17-8-12-40(63)47(70)59-35/h5-6,9-10,15,22-26,28-29,34-37,39-40H,7-8,11-14,16-21H2,1-4H3,(H2,50,64)(H,51,53)(H,52,54)(H,55,66)(H,56,65)(H,57,68)(H,58,67)(H,59,70)(H,60,69)/t28-,29-,34-,35-,36-,37-,39-,40-/m0/s1
P235InChIKeyOJHRPVYUQLSYHW-OQIFCOLESA-N
P7746Natural Product Atlas IDNPA028846
P662PubChem CID146684863
P11089UniChem compound ID178088217

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