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CHEBI:213188 - Nostocyclopeptide M1

ChEBI IDCHEBI:213188
ChEBI NameNostocyclopeptide M1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H59N7O10
Net Charge0
Average Mass882.028
Monoisotopic Mass881.43234
SMILESCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCO)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccc(O)cc2)N=CC(Cc2ccc(O)cc2)NC(=O)C2C[C@H](C)CN2C1=O
InChIInChI=1S/C47H59N7O10/c1-27(2)41-47(64)54-26-28(3)21-40(54)45(62)49-32(22-29-6-12-33(56)13-7-29)25-48-37(23-30-8-14-34(57)15-9-30)42(59)51-38(24-31-10-16-35(58)17-11-31)43(60)50-36(18-20-55)46(63)53-19-4-5-39(53)44(61)52-41/h6-17,25,27-28,32,36-41,55-58H,4-5,18-24,26H2,1-3H3,(H,49,62)(H,50,60)(H,51,59)(H,52,61)/t28-,32?,36+,37?,38?,39-,40?,41-/m0/s1
InChIKeyDVUWQGYGLZYWGL-QCSTXCLLSA-N
Species of MetaboliteComponentSourceComments
Nostoc (ncbitaxon:1177) - PubMed (20575133)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostocyclopeptide M1 (CHEBI:213188) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,12R,26S)-12-(2-hydroxyethyl)-15,18,21-tris[(4-hydroxyphenyl)methyl]-26-methyl-3-propan-2-yl-1,4,10,13,16,19,22-heptazatricyclo[22.3.0.06,10]heptacos-19-ene-2,5,11,14,17,23-hexone