(Q104983681)

English

DKSPATNIHZSGOP-YZSKCGIOSA-N

group of stereoisomers with the chemical formula C₄₁H₆₁N₉O₂₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

999.403285352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₁N₉O₂₀

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canonical SMILES

CC(=CC(=O)N(O)CCCC1NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCN(O)C(=O)C=C(C)CC(=O)O)NC(=O)C(CCCN(O)C(=O)C=C(C)CC(=O)O)NC1=O)CC(=O)O

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isomeric SMILES

C/C(=C/C(=O)N(O)CCCC1NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCN(O)C(=O)/C=C(/C)CC(=O)O)NC(=O)C(CCCN(O)C(=O)/C=C(\C)CC(=O)O)NC1=O)CC(=O)O

1 reference

based on heuristic

inferred from InChI

found in taxon

Aspergillus fumigatus

1 reference

stated in

Identification of extracellular siderophores of pathogenic strains ofAspergillus fumigatus

Identifiers

InChI

InChI=1S/C41H61N9O20/c1-22(16-34(57)58)13-31(54)48(68)10-4-7-25-38(64)44-26(8-5-11-49(69)32(55)14-23(2)17-35(59)60)39(65)45-27(9-6-12-50(70)33(56)15-24(3)18-36(61)62)40(66)47-29(21-52)41(67)46-28(20-51)37(63)42-19-30(53)43-25/h13-15,25-29,51-52,68-70H,4-12,16-21H2,1-3H3,(H,42,63)(H,43,53)(H,44,64)(H,45,65)(H,46,67)(H,47,66)(H,57,58)(H,59,60)(H,61,62)/b22-13-,23-14+,24-15-

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InChIKey

DKSPATNIHZSGOP-YZSKCGIOSA-N

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2 references

15 September 2022

matched by identifier from

InChIKey

DKSPATNIHZSGOP-YZSKCGIOSA-N

1 reference

(Q104983681)

DKSPATNIHZSGOP-YZSKCGIOSA-N

Statements

Identifiers

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