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(Q77484706)
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Thiochondrilline C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
Unk-DL-Cys(1)-Gly-DL-N(Me)Cys(1)-DL-N(Me)Cys(Me)-OMe
1 reference
based on heuristic
inferred from SMILES
mass
609.138561332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₁N₅O₇S₃
0 references
canonical SMILES
COC(=O)C(CSC)N(C)C(=O)C1CSSCC(NC(=O)c2nc3ccccc3cc2O)C(=O)NCC(=O)N1C
0 references
isomeric SMILES
CN1[C@@H](CSSC[C@H](C(=O)NCC1=O)NC(=O)C2=NC3=CC=CC=C3C=C2O)C(=O)N(C)[C@@H](CSC)C(=O)OC
0 references
found in taxon
Verrucosispora
1 reference
stated in
First natural analogs of the cytotoxic thiodepsipeptide thiocoraline A from a marine Verrucosispora sp.
Identifiers
InChI
InChI=1S/C25H31N5O7S3/c1-29-17(24(35)30(2)18(12-38-4)25(36)37-3)13-40-39-11-16(22(33)26-10-20(29)32)28-23(34)21-19(31)9-14-7-5-6-8-15(14)27-21/h5-9,16-18,31H,10-13H2,1-4H3,(H,26,33)(H,28,34)/t16-,17+,18+/m1/s1
0 references
InChIKey
SSNMADOPSZXXTG-SQNIBIBYSA-N
2 references
stated in
PubChem
PubChem CID
53474885
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
53474885
language of work or name
English
PubChem CID
53474885
2 references
stated in
PubChem
PubChem CID
53474885
language of work or name
English
matched by identifier from
InChIKey
InChIKey
SSNMADOPSZXXTG-SQNIBIBYSA-N
ChEBI ID
207674
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H31N5O7S3/c1-29-17(24(35)30(2)18(12-38-4)25(36)37-3)13-40-39-11-16(22(33)26-10-20(29)32)28-23(34)21-19(31)9-14-7-5-6-8-15(14)27-21/h5-9,16-18,31H,10-13H2,1-4H3,(H,26,33)(H,28,34)/t16-,17+,18+/m1/s1
UniChem compound ID
34237301
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009238
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSNMADOPSZXXTG-SQNIBIBYSA-N
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