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CHEBI:221145 - [D-Leu1]MC-HphR

ChEBI IDCHEBI:221145
ChEBI Name[D-Leu1]MC-HphR
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H80N10O12
Net Charge0
Average Mass1085.314
Monoisotopic Mass1084.59572
SMILESC=C1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCc2ccccc2)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)O)CCC(=O)N1C
InChIInChI=1S/C56H80N10O12/c1-32(2)29-44-53(73)62-42(25-23-38-17-12-10-13-18-38)52(72)65-47(55(76)77)36(6)49(69)61-41(21-16-28-59-56(57)58)51(71)60-40(24-22-33(3)30-34(4)45(78-9)31-39-19-14-11-15-20-39)35(5)48(68)63-43(54(74)75)26-27-46(67)66(8)37(7)50(70)64-44/h10-15,17-20,22,24,30,32,34-36,40-45,47H,7,16,21,23,25-29,31H2,1-6,8-9H3,(H,60,71)(H,61,69)(H,62,73)(H,63,68)(H,64,70)(H,65,72)(H,74,75)(H,76,77)(H4,57,58,59)/b24-22+,33-30+/t34-,35-,36-,40-,41-,42-,43+,44+,45-,47+/m0/s1
InChIKeyZDUORUGJYRAXQK-AWTKRBTQSA-N
Species of MetaboliteComponentSourceComments
Phormidiumspecies DVL1003c (ncbitaxon:356130) - PubMed (23601305)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[D-Leu1]MC-HphR (CHEBI:221145) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-8-(2-phenylethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid