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CHEBI:217669 - Micropeptin SF909

ChEBI IDCHEBI:217669
ChEBI NameMicropeptin SF909
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H63N7O13
Net Charge0
Average Mass910.035
Monoisotopic Mass909.44839
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc2ccc(O)cc2)[C@@H](C)OC1=O
InChIInChI=1S/C45H63N7O13/c1-7-24(4)37-45(64)65-25(5)38(50-41(60)34(55)22-27-10-14-29(54)15-11-27)42(61)47-30(16-18-35(46)56)39(58)48-31-17-19-36(57)52(43(31)62)33(20-23(2)3)44(63)51(6)32(40(59)49-37)21-26-8-12-28(53)13-9-26/h8-15,23-25,30-34,36-38,53-55,57H,7,16-22H2,1-6H3,(H2,46,56)(H,47,61)(H,48,58)(H,49,59)(H,50,60)/t24-,25+,30-,31-,32-,33-,34-,36+,37-,38-/m0/s1
InChIKeyGONSYIOELLNJMK-LWCLLLCHSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - DOI (10.1016/s0040-4020(99)00597-9)
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 SF909 (CHEBI:217669) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-8-[(2S)-butan-2-yl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-hydroxy-3-(4-hydroxyphenyl)propanamide
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