(Q104200893)

English

XEIJPGKRYOZUGB-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₃H₈₆N₈O₂₁S

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No description defined

Statements

group of stereoisomers

0 references

biogenic cyclopeptide

1 reference

biogenic cyclopeptide

1,202.562822772 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₃H₈₆N₈O₂₁S

0 references

canonical SMILES

CCC(C)CC(C)CCCCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)c(OS(=O)(=O)O)c2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O

0 references

1 reference

FR227673 and FR190293, Novel Antifungal Lipopeptides from Chalara sp. No. 22210 and Tolypocladium parasiticum No. 16616

Identifiers

InChI=1S/C53H86N8O21S/c1-6-26(2)19-27(3)15-13-11-9-7-8-10-12-14-16-39(68)55-32-22-36(66)49(74)59-51(76)43-44(69)28(4)24-61(43)53(78)41(35(65)23-38(54)67)57-50(75)42(46(71)45(70)30-17-18-34(64)37(20-30)82-83(79,80)81)58-48(73)33-21-31(63)25-60(33)52(77)40(29(5)62)56-47(32)72/h17-18,20,26-29,31-33,35-36,40-46,49,62-66,69-71,74H,6-16,19,21-25H2,1-5H3,(H2,54,67)(H,55,68)(H,56,72)(H,57,75)(H,58,73)(H,59,76)(H,79,80,81)

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XEIJPGKRYOZUGB-UHFFFAOYSA-N

0 references

2 references

26 December 2021

15 September 2022

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C53H86N8O21S/c1-6-26(2)19-27(3)15-13-11-9-7-8-10-12-14-16-39(68)55-32-22-36(66)49(74)59-51(76)43-44(69)28(4)24-61(43)53(78)41(35(65)23-38(54)67)57-50(75)42(46(71)45(70)30-17-18-34(64)37(20-30)82-83(79,80)81)58-48(73)33-21-31(63)25-60(33)52(77)40(29(5)62)56-47(32)72/h17-18,20,26-29,31-33,35-36,40-46,49,62-66,69-71,74H,6-16,19,21-25H2,1-5H3,(H2,54,67)(H,55,68)(H,56,72)(H,57,75)(H,58,73)(H,59,76)(H,79,80,81)

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XEIJPGKRYOZUGB-UHFFFAOYSA-N

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