EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214194 - [L-Ser7]MC-EE(OMe)

ChEBI IDCHEBI:214194
ChEBI Name[L-Ser7]MC-EE(OMe)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H67N7O17
Net Charge0
Average Mass1002.085
Monoisotopic Mass1001.45934
SMILESCOC(=O)CC[C@@H]1NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)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/C47H67N7O17/c1-24(21-25(2)35(70-6)22-29-11-9-8-10-12-29)13-14-30-26(3)40(60)53-33(46(66)67)15-18-36(56)49-34(23-55)45(65)48-28(5)42(62)52-31(16-19-37(57)58)44(64)54-39(47(68)69)27(4)41(61)51-32(43(63)50-30)17-20-38(59)71-7/h8-14,21,25-28,30-35,39,55H,15-20,22-23H2,1-7H3,(H,48,65)(H,49,56)(H,50,63)(H,51,61)(H,52,62)(H,53,60)(H,54,64)(H,57,58)(H,66,67)(H,68,69)/b14-13+,24-21+/t25-,26-,27-,28+,30-,31-,32-,33+,34-,35-,39+/m0/s1
InChIKeyRCXSHZJBABBPCQ-XSTWSXKBSA-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-EE(OMe) (CHEBI:214194) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,5R,8S,11R,12S,15S,18S,19S,22R)-8-(2-carboxyethyl)-2-(hydroxymethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-(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