(Q105177133)

English

2-[[3-Amino-5-hydroxy-2-methoxy-5-[[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]cyclohex-2-en-1-ylidene]amino]-3-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxybutanoic acid

group of stereoisomers with the chemical formula C₂₄H₄₀N₂O₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

612.2377832 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀N₂O₁₆

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canonical SMILES

O=C(O)C(N=C1C(OC)=C(N)CC(O)(COC2C(O)C(O)C(O)OC2CO)C1)C(OC3C(O)C(O)C(O)OC3CO)C

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found in taxon

Scytonema crispum

1 reference

stated in

Identification of peptide metabolites of Microcystis (Cyanobacteria) that inhibit trypsin-like activity in planktonic herbivorous Daphnia (Cladocera).

Identifiers

InChI

InChI=1S/C24H40N2O16/c1-8(40-20-12(6-28)42-23(36)17(32)15(20)30)13(21(33)34)26-10-4-24(37,3-9(25)18(10)38-2)7-39-19-11(5-27)41-22(35)16(31)14(19)29/h8,11-17,19-20,22-23,27-32,35-37H,3-7,25H2,1-2H3,(H,33,34)

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InChIKey

NCCLCWFTDMUJFW-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NCCLCWFTDMUJFW-UHFFFAOYSA-N

ChEBI ID

221643

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H40N2O16/c1-8(40-20-12(6-28)42-23(36)17(32)15(20)30)13(21(33)34)26-10-4-24(37,3-9(25)18(10)38-2)7-39-19-11(5-27)41-22(35)16(31)14(19)29/h8,11-17,19-20,22-23,27-32,35-37H,3-7,25H2,1-2H3,(H,33,34)

1 reference

Natural Product Atlas ID

NPA028826

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NCCLCWFTDMUJFW-UHFFFAOYSA-N

(Q105177133)

2-[[3-Amino-5-hydroxy-2-methoxy-5-[[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxymethyl]cyclohex-2-en-1-ylidene]amino]-3-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxybutanoic acid

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