(Q110169899)

English

[(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(2-methylpropanoylamino)propanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

596.309766368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₄N₂O₈

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canonical SMILES

O=C(OC1CC=CC=CC2OC=3C(=CC(O)=CC3CCC=C(C)C(O)C1C)N4C(=O)CC(OC)C42)C(NC(=O)C(C)C)C

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isomeric SMILES

CO[C@@H]1CC(=O)N2c3cc(O)cc4c3O[C@@H](/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C(C)C)[C@H](C)[C@@H](O)/C(C)=C\CC4)[C@H]12

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found in taxon

Streptomyces seoulensis

1 reference

stated in

New ansamycin analogues from the mutant strain of Streptomyces seoulensis

Identifiers

InChI

InChI=1S/C33H44N2O8/c1-18(2)32(39)34-21(5)33(40)43-25-13-8-7-9-14-26-29-27(41-6)17-28(37)35(29)24-16-23(36)15-22(31(24)42-26)12-10-11-19(3)30(38)20(25)4/h7-9,11,14-16,18,20-21,25-27,29-30,36,38H,10,12-13,17H2,1-6H3,(H,34,39)/b8-7+,14-9+,19-11-/t20-,21+,25-,26-,27+,29+,30-/m0/s1

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InChIKey

CSPLOMMYFKCXIH-XUGFZKIUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSPLOMMYFKCXIH-XUGFZKIUSA-N

ChEBI ID

227431

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C33H44N2O8/c1-18(2)32(39)34-21(5)33(40)43-25-13-8-7-9-14-26-29-27(41-6)17-28(37)35(29)24-16-23(36)15-22(31(24)42-26)12-10-11-19(3)30(38)20(25)4/h7-9,11,14-16,18,20-21,25-27,29-30,36,38H,10,12-13,17H2,1-6H3,(H,34,39)/b8-7+,14-9+,19-11-/t20-,21+,25-,26-,27+,29+,30-/m0/s1

Natural Product Atlas ID

NPA029949

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CSPLOMMYFKCXIH-XUGFZKIUSA-N

(Q110169899)

[(4Z,6R,7R,8S,10E,12E,14S,15S,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-25-oxa-19-azatetracyclo[12.9.2.015,19.020,24]pentacosa-1(24),4,10,12,20,22-hexaen-8-yl] (2R)-2-(2-methylpropanoylamino)propanoate

Statements

Identifiers

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