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CHEBI:220857 - MC-LV

ChEBI IDCHEBI:220857
ChEBI NameMC-LV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H71N7O12
Net Charge0
Average Mass938.133
Monoisotopic Mass937.51607
SMILESC=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C(C)C)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/C48H71N7O12/c1-25(2)22-36-45(61)54-40(48(65)66)30(8)42(58)53-39(26(3)4)46(62)50-34(19-18-27(5)23-28(6)37(67-12)24-33-16-14-13-15-17-33)29(7)41(57)51-35(47(63)64)20-21-38(56)55(11)32(10)44(60)49-31(9)43(59)52-36/h13-19,23,25-26,28-31,34-37,39-40H,10,20-22,24H2,1-9,11-12H3,(H,49,60)(H,50,62)(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,63,64)(H,65,66)/b19-18+,27-23+/t28-,29-,30-,31+,34-,35+,36-,37-,39-,40+/m0/s1
InChIKeyAJUZGGJRRWZCKO-LGJGRGOKSA-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)
MC-LV (CHEBI:220857) 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]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-15-propan-2-yl-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid