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CHEBI:213930 - [Gly1,D-Asp3,ADMAdda5,Dhb7]MC-LHar

ChEBI IDCHEBI:213930
ChEBI Name[Gly1,D-Asp3,ADMAdda5,Dhb7]MC-LHar
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H72N10O13
Net Charge0
Average Mass1009.172
Monoisotopic Mass1008.52803
SMILESC/C=C1\NC(=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(C)=O)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)C[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC1=O
InChIInChI=1S/C49H72N10O13/c1-8-33-44(65)53-26-42(63)56-37(22-27(2)3)46(67)59-38(48(70)71)25-41(62)55-35(16-12-13-21-52-49(50)51)45(66)57-34(30(6)43(64)58-36(47(68)69)19-20-40(61)54-33)18-17-28(4)23-29(5)39(72-31(7)60)24-32-14-10-9-11-15-32/h8-11,14-15,17-18,23,27,29-30,34-39H,12-13,16,19-22,24-26H2,1-7H3,(H,53,65)(H,54,61)(H,55,62)(H,56,63)(H,57,66)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,50,51,52)/b18-17+,28-23+,33-8-/t29-,30-,34-,35-,36+,37-,38+,39-/m0/s1
InChIKeyYDRTZHHACZYGHJ-CSBASIQISA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (25675414)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[Gly1,D-Asp3,ADMAdda5,Dhb7]MC-LHar (CHEBI:213930) is a peptide (CHEBI:16670)
IUPAC Name 
(2Z,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[4-(diaminomethylideneamino)butyl]-2-ethylidene-19-methyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid