mycolactone
chemical compound
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mycolactone
Summary
mycolactone is a type of chemical entity[1]. mycolactone ranks in the top 6% of type_of_chemical_entity entities by monthly Wikipedia readership (10 views/month).[2]
Key Facts
- mycolactone's instance of is recorded as type of chemical entity[3].
- mycolactone's instance of is recorded as toxin[4].
- mycolactone's chemical structure is recorded as Mycolactone 2.png[5].
- mycolactone's CAS Registry Number is recorded as 222050-77-3[6].
- mycolactone's canonical SMILES is recorded as CC1CC(=CCC(OC(=O)CCCC1OC(=O)C=CC(=CC(=CC=CC(=CC(C(CC(C)O)O)O)C)C)C)C(C)CC(=CC(C)C(CC(C)O)O)C)C[7].
- mycolactone's InChI is recorded as InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17+,32-23+/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1[8].
- mycolactone's InChIKey is recorded as WKTLNJXZVDLRTJ-QRRXZRELSA-N[9].
- mycolactone's chemical formula is recorded as C₄₄H₇₀O₉[10].
- mycolactone's subclass of is recorded as mycolactone[11].
- mycolactone's Freebase ID is recorded as /m/0h3q_m[12].
- mycolactone's ChemSpider ID is recorded as 4445303[13].
- mycolactone's PubChem CID is recorded as 5282079[14].
- mycolactone's KEGG ID is recorded as C12151[15].
- mycolactone's ChEBI ID is recorded as 31871[16].
- mycolactone's isomeric SMILES is recorded as C[C@H]1C/C(=C/CC@@HC@@HC/C(=C/C@@HC@@HO)/C)/CC@@HC@@HC/C(=C/C@@HC@@HO)/C)/C">[17].
- mycolactone's mass is recorded as {'unit': 'Q483261', 'amount': '+742.501984'}[18].
- mycolactone's SureChEMBL ID is recorded as 1229472[19].
- mycolactone's DSSTox substance ID is recorded as DTXSID10415207[20].
- mycolactone's stereoisomer of is recorded as [(6S,7R,9Z,12R)-12-[(E,2S,6R,7R,9R)-7,9-dihydroxy-4,6-dimethyldec-4-en-2-yl]-7,9-dimethyl-2-oxo-1-oxacyclododec-9-en-6-yl] (2E,4Z,6E,8E,10E,12S,13S,15S)-12,13,15-trihydroxy-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoate[21].
- mycolactone's stereoisomer of is recorded as Mycolactone B[22].
- mycolactone's Microsoft Academic ID is recorded as 2776656079[23].
- mycolactone's DSSTOX compound identifier is recorded as DTXCID60366058[24].
- mycolactone's UniChem compound ID is recorded as 1070229[25].
Why It Matters
mycolactone ranks in the top 6% of type_of_chemical_entity entities by monthly Wikipedia readership (10 views/month).[2]