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CHEBI:220898 - [Dha7]MC-(H4)YR

ChEBI IDCHEBI:220898
ChEBI Name[Dha7]MC-(H4)YR
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H74N10O13
Net Charge0
Average Mass1035.210
Monoisotopic Mass1034.54368
SMILESC=C1NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](C[C@H]2C=C[C@H](O)CC2)NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
InChIKeyTUAADMHCVHCCPV-UIBXFZKZSA-N
Species of MetaboliteComponentSourceComments
Microcystis aeruginosa (ncbitaxon:1126) - PubMed (18389225)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[Dha7]MC-(H4)YR (CHEBI:220898) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid