EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213967 - [D-Leu1,L-Ser7]MC-HtyR

ChEBI IDCHEBI:213967
ChEBI Name[D-Leu1,L-Ser7]MC-HtyR
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H80N10O14
Net Charge0
Average Mass1105.301
Monoisotopic Mass1104.58555
SMILESCO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C
InChIInChI=1S/C55H80N10O14/c1-30(2)26-42-51(73)62-40(22-18-35-16-19-37(67)20-17-35)50(72)65-46(54(77)78)34(6)48(70)61-39(14-11-25-58-55(56)57)49(71)60-38(21-15-31(3)27-32(4)44(79-7)28-36-12-9-8-10-13-36)33(5)47(69)63-41(53(75)76)23-24-45(68)59-43(29-66)52(74)64-42/h8-10,12-13,15-17,19-21,27,30,32-34,38-44,46,66-67H,11,14,18,22-26,28-29H2,1-7H3,(H,59,68)(H,60,71)(H,61,70)(H,62,73)(H,63,69)(H,64,74)(H,65,72)(H,75,76)(H,77,78)(H4,56,57,58)/b21-15+,31-27+/t32-,33-,34-,38-,39-,40-,41+,42+,43-,44-,46+/m0/s1
InChIKeyLPFSGSMIIHIZHU-HRPRKDRMSA-N
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - PubMed (32004884)
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,L-Ser7]MC-HtyR (CHEBI:213967) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-12,19-dimethyl-5-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid