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CHEBI:214424 - [Leu1,MeO-Glu)6]MC-HilR

ChEBI IDCHEBI:214424
ChEBI Name[Leu1,MeO-Glu)6]MC-HilR
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H84N10O12
Net Charge0
Average Mass1065.324
Monoisotopic Mass1064.62702
SMILESC=C1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C[C@@H](C)CC)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)OC)CCC(=O)N1C
InChIInChI=1S/C54H84N10O12/c1-13-31(4)28-42-51(71)63-45(52(72)73)35(8)47(67)59-39(20-17-25-57-54(55)56)49(69)58-38(22-21-32(5)27-33(6)43(75-11)29-37-18-15-14-16-19-37)34(7)46(66)60-40(53(74)76-12)23-24-44(65)64(10)36(9)48(68)61-41(26-30(2)3)50(70)62-42/h14-16,18-19,21-22,27,30-31,33-35,38-43,45H,9,13,17,20,23-26,28-29H2,1-8,10-12H3,(H,58,69)(H,59,67)(H,60,66)(H,61,68)(H,62,70)(H,63,71)(H,72,73)(H4,55,56,57)/b22-21+,32-27+/t31-,33-,34-,35-,38-,39-,40+,41+,42-,43-,45+/m0/s1
InChIKeyPZMFYRLMLBDWAA-SJELWDFNSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (25641497)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[Leu1,MeO-Glu)6]MC-HilR (CHEBI:214424) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-8-[(2S)-2-methylbutyl]-2-methylidene-5-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid