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CHEBI:221201 - Micrococcin P2

ChEBI IDCHEBI:221201
ChEBI NameMicrococcin P2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H47N13O9S6
Net Charge0
Average Mass1142.388
Monoisotopic Mass1141.19440
SMILESC/C=C(\NC(=O)c1csc(-c2csc(-c3ccc4c(n3)-c3csc(n3)[C@H]([C@@H](C)O)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)c3csc(n3)/C(=C/C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3csc-4n3)n2)n1)C(=O)NCC(C)=O
InChIInChI=1S/C48H47N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-19,21-22,33-35,63-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t21-,22-,33+,34+,35+/m1/s1
InChIKeyXLMXLFRJEYNHMO-RRXYFVOQSA-N
Species of MetaboliteComponentSourceComments
Bacillus pumilus (ncbitaxon:1408) - DOI (10.1039/C39780000256)
ChEBI Ontology
Outgoing Relation(s)
Micrococcin P2 (CHEBI:221201) is a thiazoles (CHEBI:48901)
IUPAC Name 
2-[2-[(12S,19S,26Z,29S)-26-ethylidene-14,21,28,31-tetrahydroxy-12,29-bis[(1R)-1-hydroxyethyl]-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),13,15,18(37),20,22,25(36),27,30,32-pentadecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-hydroxy-1-(2-oxopropylimino)but-2-en-2-yl]-1,3-thiazole-4-carboximidic acid