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CHEBI:214207 - [L-Ser7]MC-E(OMe)E(OMe)

ChEBI IDCHEBI:214207
ChEBI Name[L-Ser7]MC-E(OMe)E(OMe)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H69N7O17
Net Charge0
Average Mass1016.112
Monoisotopic Mass1015.47499
SMILESCOC(=O)CC[C@@H]1NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](C)NC(=O)[C@H](CO)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)NC1=O
InChIInChI=1S/C48H69N7O17/c1-25(22-26(2)36(70-6)23-30-12-10-9-11-13-30)14-15-31-27(3)41(60)54-34(47(66)67)16-19-37(57)50-35(24-56)46(65)49-29(5)43(62)53-33(18-21-39(59)72-8)45(64)55-40(48(68)69)28(4)42(61)52-32(44(63)51-31)17-20-38(58)71-7/h9-15,22,26-29,31-36,40,56H,16-21,23-24H2,1-8H3,(H,49,65)(H,50,57)(H,51,63)(H,52,61)(H,53,62)(H,54,60)(H,55,64)(H,66,67)(H,68,69)/b15-14+,25-22+/t26-,27-,28-,29+,31-,32-,33-,34+,35-,36-,40+/m0/s1
InChIKeyAMOBUNZQEUJLCJ-WBINVAHYSA-N
Species of MetaboliteComponentSourceComments
Anabaena (ncbitaxon:1163) - DOI (10.1021/tx970120t)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[L-Ser7]MC-E(OMe)E(OMe) (CHEBI:214207) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,5R,8S,11R,12S,15S,18S,19S,22R)-2-(hydroxymethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-8,15-bis(3-methoxy-3-oxopropyl)-5,12,19-trimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid