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CHEBI:220779 - [Dha7]MC-LA

ChEBI IDCHEBI:220779
ChEBI Name[Dha7]MC-LA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H65N7O12
Net Charge0
Average Mass896.052
Monoisotopic Mass895.46912
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](C)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C45H65N7O12/c1-23(2)20-34-43(59)52-37(45(62)63)27(6)39(55)47-29(8)41(57)49-32(17-16-24(3)21-25(4)35(64-10)22-31-14-12-11-13-15-31)26(5)38(54)50-33(44(60)61)18-19-36(53)46-28(7)40(56)48-30(9)42(58)51-34/h11-17,21,23,25-27,29-30,32-35,37H,7,18-20,22H2,1-6,8-10H3,(H,46,53)(H,47,55)(H,48,56)(H,49,57)(H,50,54)(H,51,58)(H,52,59)(H,60,61)(H,62,63)/b17-16+,24-21+/t25-,26-,27-,29-,30+,32-,33+,34-,35-,37+/m0/s1
InChIKeyRMWLEIURXQBESL-OOMCYYCHSA-N
Species of MetaboliteComponentSourceComments
Hapalosiphon (ncbitaxon:162985) - PubMed (17908306)
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-LA (CHEBI:220779) is a peptide (CHEBI:16670)
IUPAC Name 
(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,15,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid