Azotobactin D

AlkaPlorer ID: AK290044

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(=O)N(O)CCCC(NC(=O)C(CCO)NC(=O)C(CCCNC(N)=O)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)C(CCO)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C1CCN2C(=O)NC3=CC4=CC(O)=C(O)C=C4[N+]1=C32)C(O)C(=O)O)C(=O)NC(CCO)C(=O)O

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InChI: InChI=1S/C55H78N16O28/c1-23(77)70(99)11-3-5-26(44(86)63-29(9-15-74)52(93)94)59-45(87)28(8-14-73)62-43(85)25(4-2-10-57-54(56)97)60-48(90)33(22-76)66-50(92)40(41(83)53(95)96)68-38(80)20-58-42(84)27(7-13-72)61-47(89)32(21-75)65-46(88)30(18-39(81)82)64-49(91)34-6-12-69-51-31(67-55(69)98)16-24-17-36(78)37(79)19-35(24)71(34)51/h16-17,19,25-30,32-34,40-41,72-76,83,99H,2-15,18,20-22H2,1H3,(H18,56,57,58,59,60,61,62,63,64,65,66,67,68,78,80,81,82,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98)/p+1

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InChIKey: JMVZMPZKKIDDOQ-UHFFFAOYSA-O

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Reference

CAS: 109336-19-8

Properties Information

Molecule Weight: 1412.3210000000004

TPSA: 702.0700000000002

MolLogP: -11.791299999999978

Number of H-Donors: 25

Number of H-Acceptors: 26

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information