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CHEBI:213438 - Nostophycin B

ChEBI IDCHEBI:213438
ChEBI NameNostophycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H62N8O10
Net Charge0
Average Mass875.037
Monoisotopic Mass874.45889
SMILESCC(C)C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CCCc2ccccc2)NC(=O)[C@H]2CCCN2C1=O
InChIInChI=1S/C45H62N8O10/c1-27(2)38-45(63)53-23-11-19-35(53)43(61)49-32(25-30(54)17-9-16-28-12-5-3-6-13-28)39(57)44(62)48-31(20-21-36(46)55)40(58)47-26-37(56)52-22-10-18-34(52)42(60)50-33(41(59)51-38)24-29-14-7-4-8-15-29/h3-8,12-15,27,30-35,38-39,54,57H,9-11,16-26H2,1-2H3,(H2,46,55)(H,47,58)(H,48,62)(H,49,61)(H,50,60)(H,51,59)/t30?,31-,32?,33+,34+,35+,38?,39?/m0/s1
InChIKeyPLGIVKLVRGIMTH-URPROHAVSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies 152 (ncbitaxon:213632) - PubMed (21948844)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Nostophycin B (CHEBI:213438) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(6R,9R,18S,25R)-6-benzyl-21-hydroxy-22-(2-hydroxy-5-phenylpentyl)-2,5,8,14,17,20,24-heptaoxo-3-propan-2-yl-1,4,7,13,16,19,23-heptazatricyclo[23.3.0.09,13]octacosan-18-yl]propanamide