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CHEBI:226999 - Kurahamide

ChEBI IDCHEBI:226999
ChEBI NameKurahamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H77N9O15
Net Charge0
Average Mass1104.269
Monoisotopic Mass1103.55391
SMILESC/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCC)[C@@H](C)OC(=O)[C@H](C)NC(=O)CCC)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
InChIInChI=1S/C55H77N9O15/c1-11-17-41(66)56-30(6)47(69)61-46(32(8)78-54(76)31(7)57-42(67)18-12-2)51(73)62-45-33(9)79-55(77)44(29(4)5)60-49(71)39(27-35-21-23-36(65)24-22-35)63(10)53(75)40(28-34-19-15-14-16-20-34)64-43(68)26-25-38(52(64)74)59-48(70)37(13-3)58-50(45)72/h13-16,19-24,29-33,38-40,43-46,65,68H,11-12,17-18,25-28H2,1-10H3,(H,56,66)(H,57,67)(H,58,72)(H,59,70)(H,60,71)(H,61,69)(H,62,73)/b37-13-/t30-,31-,32+,33+,38-,39-,40-,43+,44-,45-,46-/m0/s1
InChIKeyMQELHCGZLCYEHQ-AQUAYRAFSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1246/bcsj.20140008)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Kurahamide (CHEBI:226999) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(2R,3S)-4-[[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(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]-3-[[(2S)-2-(butanoylamino)propanoyl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
Manual XrefsDatabases
32674782ChemSpider