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CHEBI:202064 - Micropeptin C

ChEBI IDCHEBI:202064
ChEBI NameMicropeptin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H69N7O14
Net Charge0
Average Mass1028.170
Monoisotopic Mass1027.49025
SMILESCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
InChIInChI=1S/C53H69N7O14/c1-6-7-9-14-42(63)54-37(24-26-44(65)66)47(67)58-46-31(4)74-53(73)45(30(2)3)57-49(69)40(28-34-17-21-36(62)22-18-34)59(5)52(72)41(29-32-12-10-8-11-13-32)60-43(64)25-23-38(51(60)71)55-48(68)39(56-50(46)70)27-33-15-19-35(61)20-16-33/h8,10-13,15-22,30-31,37-41,43,45-46,61-62,64H,6-7,9,14,23-29H2,1-5H3,(H,54,63)(H,55,68)(H,56,70)(H,57,69)(H,58,67)(H,65,66)/t31-,37+,38+,39+,40+,41+,43-,45+,46+/m1/s1
InChIKeyIXBOOEYQWFLNRB-XZZJZNPNSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa NIES-100 (ncbitaxon:449444) - PubMed (19260658)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Micropeptin C (CHEBI:202064) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(4S)-5-[[(2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-21-hydroxy-5,15-bis[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(hexanoylamino)-5-oxopentanoic acid
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24614959ChemSpider